1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine

C19H17N — CID 15182209

IUPAC1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)C2C=CC=C2)cc1
InChIInChI=1S/C19H17N/c1-15-11-13-18(14-12-15)20-19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-14,17H,1H3/b20-19+
InChIKeyCRSGHAIORJBKRR-FMQUCBEESA-N
MW259.35 g/mol
LogP4.86
Rot. Bonds3

About 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine

1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine (PubChem CID 15182209) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine
PubChem CID15182209
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)C2C=CC=C2)cc1
InChIInChI=1S/C19H17N/c1-15-11-13-18(14-12-15)20-19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-14,17H,1H3/b20-19+
InChIKeyCRSGHAIORJBKRR-FMQUCBEESA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine
CID 11987098
CID 132600813
CID 132600813
N-(1,3-dithiolan-2-ylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 56693253
N-(dimethylaminomethylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 10912424
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
(E)-1-cyclopenta-2,4-dien-1-yl-3-[2-[(4-methylphenyl)iminomethylideneamino]phenyl]prop-2-en-1-one
CID 101057733
1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene
CID 177449850
(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
CID 6915725
ethyl 3-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91444861
1-(2-benzylsulfanylphenyl)-N-(4-methylphenyl)-1-phenylmethanimine
CID 10739355
N-methyl-N'-(4-methylphenyl)-N-phenylethanimidamide
CID 71332209
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine (CID 15182209) is 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine is Cc1ccc(/N=C(\c2ccccc2)C2C=CC=C2)cc1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine?
The InChIKey is CRSGHAIORJBKRR-FMQUCBEESA-N. The full InChI is InChI=1S/C19H17N/c1-15-11-13-18(14-12-15)20-19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-14,17H,1H3/b20-19+.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine?
1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine has a molecular weight of 259.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 15182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).