(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine

C18H16N2O — CID 11011259

IUPAC(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine
SMILESO/N=C1\C[C@H]2C=C[C@@H]1[C@@]2(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N2O/c21-20-16-12-14-9-10-15(16)18(14,13-6-2-1-3-7-13)17-8-4-5-11-19-17/h1-11,14-15,21H,12H2/b20-16+/t14-,15+,18+/m1/s1
InChIKeyCPQLGEZQTYSVFY-JMLCHJJASA-N
MW276.34 g/mol
LogP3.40
Rot. Bonds2

About (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine

(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine (PubChem CID 11011259) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine
PubChem CID11011259
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine
SMILESO/N=C1\C[C@H]2C=C[C@@H]1[C@@]2(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N2O/c21-20-16-12-14-9-10-15(16)18(14,13-6-2-1-3-7-13)17-8-4-5-11-19-17/h1-11,14-15,21H,12H2/b20-16+/t14-,15+,18+/m1/s1
InChIKeyCPQLGEZQTYSVFY-JMLCHJJASA-N
XLogP3.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane
CID 10501789
(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile
CID 10491595
(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine
CID 7447533
phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone
CID 67898559
(NE)-N-[(2S)-2-pyridin-2-ylcyclohexylidene]hydroxylamine
CID 7058762
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one
CID 101031320
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid
CID 87399489
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine (CID 11011259) is (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine is O/N=C1\C[C@H]2C=C[C@@H]1[C@@]2(c1ccccc1)c1ccccn1.
What is the InChIKey of (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine?
The InChIKey is CPQLGEZQTYSVFY-JMLCHJJASA-N. The full InChI is InChI=1S/C18H16N2O/c21-20-16-12-14-9-10-15(16)18(14,13-6-2-1-3-7-13)17-8-4-5-11-19-17/h1-11,14-15,21H,12H2/b20-16+/t14-,15+,18+/m1/s1.
What are the key properties of (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine?
(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine has a molecular weight of 276.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine is sourced from PubChem (CID 11011259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).