N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine

C18H22N2O3 — CID 825023

IUPACN-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine
SMILESCN1CCc2cc3c(c4c2[C@H]1CC41CCC(=NO)CC1)OCO3
InChIInChI=1S/C18H22N2O3/c1-20-7-4-11-8-14-17(23-10-22-14)16-15(11)13(20)9-18(16)5-2-12(19-21)3-6-18/h8,13,21H,2-7,9-10H2,1H3/b19-12-/t13-,18?/m1/s1
InChIKeyQSAYUFLRSCGDQM-RUJRJSPCSA-N
MW314.38 g/mol
LogP2.99
Rot. Bonds

About N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine

N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine (PubChem CID 825023) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine
PubChem CID825023
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine
SMILESCN1CCc2cc3c(c4c2[C@H]1CC41CCC(=NO)CC1)OCO3
InChIInChI=1S/C18H22N2O3/c1-20-7-4-11-8-14-17(23-10-22-14)16-15(11)13(20)9-18(16)5-2-12(19-21)3-6-18/h8,13,21H,2-7,9-10H2,1H3/b19-12-/t13-,18?/m1/s1
InChIKeyQSAYUFLRSCGDQM-RUJRJSPCSA-N
XLogP2.99
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine with MolForge

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Related Compounds

N-[(12R)-11-methylspiro[3,5-dioxa-11-azoniatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine
CID 6947462
(12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-16,17-diol
CID 162817836
(12S)-spiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ol
CID 162876092
(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol
CID 162907796
17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
CID 9276
(1S,4S,13S,14S)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-trien-14-ol
CID 138984579
(12R)-17-methoxy-11,18-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
CID 163018059
N-[1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-ylidene]hydroxylamine
CID 3751703
(NE)-N-[1-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3-methylbutan-2-ylidene]hydroxylamine
CID 40559067
1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methylbutan-2-one
CID 3288889
N-[1,1,1-trifluoro-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-ylidene]hydroxylamine
CID 3554281
N-[2-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(3-methoxyphenyl)ethylidene]hydroxylamine
CID 42616306

Frequently Asked Questions

What is the IUPAC name of N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine?
The IUPAC name of N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine (CID 825023) is N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine.
What is the SMILES notation for N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine?
The canonical SMILES for N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine is CN1CCc2cc3c(c4c2[C@H]1CC41CCC(=NO)CC1)OCO3.
What is the InChIKey of N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine?
The InChIKey is QSAYUFLRSCGDQM-RUJRJSPCSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-7-4-11-8-14-17(23-10-22-14)16-15(11)13(20)9-18(16)5-2-12(19-21)3-6-18/h8,13,21H,2-7,9-10H2,1H3/b19-12-/t13-,18?/m1/s1.
What are the key properties of N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine?
N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine has a molecular weight of 314.38 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine is sourced from PubChem (CID 825023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).