(E)-5-anilino-4-methylpent-3-en-2-one

C12H15NO — CID 143995368

IUPAC(E)-5-anilino-4-methylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)CNc1ccccc1
InChIInChI=1S/C12H15NO/c1-10(8-11(2)14)9-13-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3/b10-8+
InChIKeyDMDSIPGNPUZWPT-CSKARUKUSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds4

About (E)-5-anilino-4-methylpent-3-en-2-one

(E)-5-anilino-4-methylpent-3-en-2-one (PubChem CID 143995368) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-5-anilino-4-methylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-anilino-4-methylpent-3-en-2-one
PubChem CID143995368
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-5-anilino-4-methylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)CNc1ccccc1
InChIInChI=1S/C12H15NO/c1-10(8-11(2)14)9-13-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3/b10-8+
InChIKeyDMDSIPGNPUZWPT-CSKARUKUSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 904
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
2-Methylacetanilide
CID 12107
N-Butylaniline
CID 14310
N-Allylaniline
CID 68525
2-((4-Methylpentan-2-yl)amino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione
CID 154926030
Isobutyranilide
CID 20436
3-(Phenylamino)-2-cyclohexen-1-one
CID 98795
N-Phenylacrylamide
CID 221792
(2E)-N-phenylbut-2-enamide
CID 5368760
2,2-Dimethyl-N-phenylpropanamide
CID 81103

Frequently Asked Questions

What is the IUPAC name of (E)-5-anilino-4-methylpent-3-en-2-one?
The IUPAC name of (E)-5-anilino-4-methylpent-3-en-2-one (CID 143995368) is (E)-5-anilino-4-methylpent-3-en-2-one.
What is the SMILES notation for (E)-5-anilino-4-methylpent-3-en-2-one?
The canonical SMILES for (E)-5-anilino-4-methylpent-3-en-2-one is CC(=O)/C=C(\C)CNc1ccccc1.
What is the InChIKey of (E)-5-anilino-4-methylpent-3-en-2-one?
The InChIKey is DMDSIPGNPUZWPT-CSKARUKUSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(8-11(2)14)9-13-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3/b10-8+.
What are the key properties of (E)-5-anilino-4-methylpent-3-en-2-one?
(E)-5-anilino-4-methylpent-3-en-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-anilino-4-methylpent-3-en-2-one is sourced from PubChem (CID 143995368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).