(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine

C13H15NO — CID 14973001

IUPAC(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1=C/C(=N/O)CC(c2ccccc2)C1
InChIInChI=1S/C13H15NO/c1-10-7-12(9-13(8-10)14-15)11-5-3-2-4-6-11/h2-6,8,12,15H,7,9H2,1H3/b14-13-
InChIKeyFYPDCNUFCBJRFQ-YPKPFQOOSA-N
MW201.27 g/mol
LogP3.34
Rot. Bonds1

About (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine

(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 14973001) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID14973001
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1=C/C(=N/O)CC(c2ccccc2)C1
InChIInChI=1S/C13H15NO/c1-10-7-12(9-13(8-10)14-15)11-5-3-2-4-6-11/h2-6,8,12,15H,7,9H2,1H3/b14-13-
InChIKeyFYPDCNUFCBJRFQ-YPKPFQOOSA-N
XLogP3.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.34
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'}

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Related Compounds

N-(3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 72727345
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
CID 135923483
(NE)-N-[(6S)-3-methyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine
CID 6339382
2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one
CID 135530271
N-[(2S,3S,6S)-3-methyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7124282
(NE)-N-[(2S,3R,6S)-3-methyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 6981835
(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine
CID 98155352
(5S)-3-methyl-5-(3-phenoxyphenyl)cyclohex-2-en-1-one
CID 139074788
N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
benzene;cyclopropylbenzene
CID 144638417
3-hydroxy-2-[(E)-hydroxyiminomethyl]-5-phenylcyclohex-2-en-1-one
CID 146647200

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine (CID 14973001) is (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine is CC1=C/C(=N/O)CC(c2ccccc2)C1.
What is the InChIKey of (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is FYPDCNUFCBJRFQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-7-12(9-13(8-10)14-15)11-5-3-2-4-6-11/h2-6,8,12,15H,7,9H2,1H3/b14-13-.
What are the key properties of (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 14973001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).