N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide

C12H13NO2 — CID 121009504

IUPACN-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
SMILESCCC(=O)N/C=C/C(=O)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-12(15)13-9-8-11(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,15)/b9-8+
InChIKeyDLDYGXSEDSPIHG-CMDGGOBGSA-N
MW203.24 g/mol
LogP1.91
Rot. Bonds4

About N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide

N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide (PubChem CID 121009504) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
PubChem CID121009504
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
SMILESCCC(=O)N/C=C/C(=O)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-12(15)13-9-8-11(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,15)/b9-8+
InChIKeyDLDYGXSEDSPIHG-CMDGGOBGSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.91
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

N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one
CID 23591207
N-[(Z)-2-benzoylbut-1-enyl]propanamide
CID 134891678
(E)-3-(2-methylpropylamino)-1-phenylprop-2-en-1-one
CID 23591201
1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one
CID 3136160
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
(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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide?
The IUPAC name of N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide (CID 121009504) is N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide.
What is the SMILES notation for N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide?
The canonical SMILES for N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide is CCC(=O)N/C=C/C(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide?
The InChIKey is DLDYGXSEDSPIHG-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-12(15)13-9-8-11(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,13,15)/b9-8+.
What are the key properties of N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide?
N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide has a molecular weight of 203.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide is sourced from PubChem (CID 121009504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).