(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C20H22N2O — CID 5409657

IUPAC(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(=N/NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)21-22-20(23)19-17-8-4-5-9-18(17)19/h2-3,6-7,10-12,17-19H,4-5,8-9H2,1H3,(H,22,23)/b21-13-/t17-,18+,19?
InChIKeyCELGZIBYWXIOML-FCTMMQDNSA-N
MW306.41 g/mol
LogP4.12
Rot. Bonds3

About (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 5409657) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID5409657
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(=N/NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)21-22-20(23)19-17-8-4-5-9-18(17)19/h2-3,6-7,10-12,17-19H,4-5,8-9H2,1H3,(H,22,23)/b21-13-/t17-,18+,19?
InChIKeyCELGZIBYWXIOML-FCTMMQDNSA-N
XLogP4.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 6921900
N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
CID 5179015

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 5409657) is (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is C/C(=N/NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc2ccccc2c1.
What is the InChIKey of (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is CELGZIBYWXIOML-FCTMMQDNSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)21-22-20(23)19-17-8-4-5-9-18(17)19/h2-3,6-7,10-12,17-19H,4-5,8-9H2,1H3,(H,22,23)/b21-13-/t17-,18+,19?.
What are the key properties of (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 5409657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).