(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one

C12H15NO — CID 23591207

IUPAC(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one
SMILESCC(C)N/C=C/C(=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-10(2)13-9-8-12(14)11-6-4-3-5-7-11/h3-10,13H,1-2H3/b9-8+
InChIKeyLNOZLQMCZQPOPP-CMDGGOBGSA-N
MW189.26 g/mol
LogP2.38
Rot. Bonds4

About (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one

(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one (PubChem CID 23591207) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one
PubChem CID23591207
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one
SMILESCC(C)N/C=C/C(=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-10(2)13-9-8-12(14)11-6-4-3-5-7-11/h3-10,13H,1-2H3/b9-8+
InChIKeyLNOZLQMCZQPOPP-CMDGGOBGSA-N
XLogP2.38
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 ≤ 52.38
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

(E)-3-(2-methylpropylamino)-1-phenylprop-2-en-1-one
CID 23591201
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
CID 121009504
dimethyl 2-[(E)-3-oxo-3-phenylprop-1-enyl]propanedioate
CID 102177491
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
1-phenylhexa-2,4-dien-1-one
CID 57351073
(Z)-1-phenylpent-2-en-1-one
CID 91998885
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one (CID 23591207) is (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one is CC(C)N/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one?
The InChIKey is LNOZLQMCZQPOPP-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(2)13-9-8-12(14)11-6-4-3-5-7-11/h3-10,13H,1-2H3/b9-8+.
What are the key properties of (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one?
(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one is sourced from PubChem (CID 23591207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).