(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine

C15H23NO — CID 58587062

IUPAC(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
SMILESC=C(C)C1C/C(=N/O)C2=CCCC(C)C2(C)C1
InChIInChI=1S/C15H23NO/c1-10(2)12-8-14(16-17)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,17H,1,5-6,8-9H2,2-4H3/b16-14-
InChIKeyBPMFZBGOZREKLP-PEZBUJJGSA-N
MW233.35 g/mol
LogP4.17
Rot. Bonds1

About (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine

(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine (PubChem CID 58587062) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
PubChem CID58587062
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
SMILESC=C(C)C1C/C(=N/O)C2=CCCC(C)C2(C)C1
InChIInChI=1S/C15H23NO/c1-10(2)12-8-14(16-17)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,17H,1,5-6,8-9H2,2-4H3/b16-14-
InChIKeyBPMFZBGOZREKLP-PEZBUJJGSA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 44310974
2-(1-Cyclohexenyl)cyclohexanone oxime
CID 6104731
(NE)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine
CID 9604670
2-Caren-4-one oxime
CID 571772
Verbenone oxime
CID 15214849
Menthenonoxim
CID 85857790
Menth-4-en-3-one oxime
CID 75089472
(e)-(+/-)-2-Methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
CID 129658281
(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime
CID 129819629
(NZ)-N-[(1R,6S)-4,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enylidene]hydroxylamine
CID 155929148
(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 162416980
(e)-3-Caren-5-one oxime
CID 162639395

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine (CID 58587062) is (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine is C=C(C)C1C/C(=N/O)C2=CCCC(C)C2(C)C1.
What is the InChIKey of (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine?
The InChIKey is BPMFZBGOZREKLP-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)12-8-14(16-17)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,17H,1,5-6,8-9H2,2-4H3/b16-14-.
What are the key properties of (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine?
(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine has a molecular weight of 233.35 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 58587062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).