5-(4-methylphenyl)iminopent-2-enal

C12H13NO — CID 57164496

IUPAC5-(4-methylphenyl)iminopent-2-enal
SMILESCc1ccc(/N=C/CC=CC=O)cc1
InChIInChI=1S/C12H13NO/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-14/h2,4-10H,3H2,1H3/b4-2?,13-9+
InChIKeyHHWAGPWECAKPKQ-JWIJDSATSA-N
MW187.24 g/mol
LogP2.84
Rot. Bonds4

About 5-(4-methylphenyl)iminopent-2-enal

5-(4-methylphenyl)iminopent-2-enal (PubChem CID 57164496) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(4-methylphenyl)iminopent-2-enal.

Molecular Properties

Compound Name5-(4-methylphenyl)iminopent-2-enal
PubChem CID57164496
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-(4-methylphenyl)iminopent-2-enal
SMILESCc1ccc(/N=C/CC=CC=O)cc1
InChIInChI=1S/C12H13NO/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-14/h2,4-10H,3H2,1H3/b4-2?,13-9+
InChIKeyHHWAGPWECAKPKQ-JWIJDSATSA-N
XLogP2.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)nonan-1-imine
CID 10998858
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
CID 164584881
CID 164584881
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
N-phenylpent-3-en-1-imine
CID 91296935
3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 4127588
(E)-N-phenylhex-3-en-1-imine
CID 101317627
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
bis(4-methylphenyl)diazene
CID 10389
1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)iminopent-2-enal?
The IUPAC name of 5-(4-methylphenyl)iminopent-2-enal (CID 57164496) is 5-(4-methylphenyl)iminopent-2-enal.
What is the SMILES notation for 5-(4-methylphenyl)iminopent-2-enal?
The canonical SMILES for 5-(4-methylphenyl)iminopent-2-enal is Cc1ccc(/N=C/CC=CC=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)iminopent-2-enal?
The InChIKey is HHWAGPWECAKPKQ-JWIJDSATSA-N. The full InChI is InChI=1S/C12H13NO/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-14/h2,4-10H,3H2,1H3/b4-2?,13-9+.
What are the key properties of 5-(4-methylphenyl)iminopent-2-enal?
5-(4-methylphenyl)iminopent-2-enal has a molecular weight of 187.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)iminopent-2-enal is sourced from PubChem (CID 57164496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).