(Z)-3-anilino-2-methylprop-2-enal

C10H11NO — CID 19787661

IUPAC(Z)-3-anilino-2-methylprop-2-enal
SMILESC/C(C=O)=C/Nc1ccccc1
InChIInChI=1S/C10H11NO/c1-9(8-12)7-11-10-5-3-2-4-6-10/h2-8,11H,1H3/b9-7-
InChIKeyPJWDSVFATZMSAY-CLFYSBASSA-N
MW161.20 g/mol
LogP2.20
Rot. Bonds3

About (Z)-3-anilino-2-methylprop-2-enal

(Z)-3-anilino-2-methylprop-2-enal (PubChem CID 19787661) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (Z)-3-anilino-2-methylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-anilino-2-methylprop-2-enal
PubChem CID19787661
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(Z)-3-anilino-2-methylprop-2-enal
SMILESC/C(C=O)=C/Nc1ccccc1
InChIInChI=1S/C10H11NO/c1-9(8-12)7-11-10-5-3-2-4-6-10/h2-8,11H,1H3/b9-7-
InChIKeyPJWDSVFATZMSAY-CLFYSBASSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-anilino-2-methylpent-1-en-3-one
CID 102121591
3-anilino-2-(4-methoxyphenyl)prop-2-enoic acid
CID 70039469
(E)-3-anilino-1,2-diphenylprop-2-en-1-one
CID 6292138
(2E)-2-(anilinomethylidene)-5,5-dimethyl-3-methylideneheptanal
CID 129144785
2-(anilinomethylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 4069487
3-anilino-2-methoxycarbonylprop-2-enoic acid
CID 23246551
cesium;hydride;N-phenylformamide
CID 173414611
lithium;hydride;N-phenylformamide
CID 174281873
methyl 2-(anilinomethylidene)butanoate
CID 174882516
benzene;bis(N-prop-1-enylaniline)
CID 70363490
N-[(E)-2-bromo-2-hydrazinylethenyl]aniline
CID 177153745
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-2-methylprop-2-enal?
The IUPAC name of (Z)-3-anilino-2-methylprop-2-enal (CID 19787661) is (Z)-3-anilino-2-methylprop-2-enal.
What is the SMILES notation for (Z)-3-anilino-2-methylprop-2-enal?
The canonical SMILES for (Z)-3-anilino-2-methylprop-2-enal is C/C(C=O)=C/Nc1ccccc1.
What is the InChIKey of (Z)-3-anilino-2-methylprop-2-enal?
The InChIKey is PJWDSVFATZMSAY-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11NO/c1-9(8-12)7-11-10-5-3-2-4-6-10/h2-8,11H,1H3/b9-7-.
What are the key properties of (Z)-3-anilino-2-methylprop-2-enal?
(Z)-3-anilino-2-methylprop-2-enal has a molecular weight of 161.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-2-methylprop-2-enal is sourced from PubChem (CID 19787661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).