(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine

C20H17NO — CID 22799756

IUPAC(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine
SMILESO/N=C1/C=CC2(CC1)c1ccccc1C=Cc1ccccc12
InChIInChI=1S/C20H17NO/c22-21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-11,13,22H,12,14H2/b21-17-
InChIKeyVCSYITMMFAPAEM-FXBPSFAMSA-N
MW287.36 g/mol
LogP4.64
Rot. Bonds

About (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine

(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine (PubChem CID 22799756) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine
PubChem CID22799756
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine
SMILESO/N=C1/C=CC2(CC1)c1ccccc1C=Cc1ccccc12
InChIInChI=1S/C20H17NO/c22-21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-11,13,22H,12,14H2/b21-17-
InChIKeyVCSYITMMFAPAEM-FXBPSFAMSA-N
XLogP4.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenyliminocyclohex-2-en-1-ylidene)hydroxylamine
CID 158851058
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
spiro[1,2,7,7a-tetrahydroindene-3,1'-indene]
CID 91254954
1-methoxyinden-1-ol
CID 22755553
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
2-bromospiro[cyclopentane-1,1'-indene]
CID 175498392
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
2-ethynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 10561550
1-(1-piperidin-1-ylinden-1-yl)piperidine
CID 70611963
1,1'-spirobi[2H-naphthalene]
CID 158698330
(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
CID 125494388

Frequently Asked Questions

What is the IUPAC name of (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine?
The IUPAC name of (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine (CID 22799756) is (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine.
What is the SMILES notation for (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine?
The canonical SMILES for (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine is O/N=C1/C=CC2(CC1)c1ccccc1C=Cc1ccccc12.
What is the InChIKey of (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine?
The InChIKey is VCSYITMMFAPAEM-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H17NO/c22-21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-11,13,22H,12,14H2/b21-17-.
What are the key properties of (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine?
(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine has a molecular weight of 287.36 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine is sourced from PubChem (CID 22799756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).