1-[4-(prop-2-enylamino)phenyl]ethanone

C11H13NO — CID 21163521

IUPAC1-[4-(prop-2-enylamino)phenyl]ethanone
SMILESC=CCNc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H13NO/c1-3-8-12-11-6-4-10(5-7-11)9(2)13/h3-7,12H,1,8H2,2H3
InChIKeyDBLMZKNTKVVJMJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.49
Rot. Bonds4

About 1-[4-(prop-2-enylamino)phenyl]ethanone

1-[4-(prop-2-enylamino)phenyl]ethanone (PubChem CID 21163521) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[4-(prop-2-enylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(prop-2-enylamino)phenyl]ethanone
PubChem CID21163521
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-[4-(prop-2-enylamino)phenyl]ethanone
SMILESC=CCNc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H13NO/c1-3-8-12-11-6-4-10(5-7-11)9(2)13/h3-7,12H,1,8H2,2H3
InChIKeyDBLMZKNTKVVJMJ-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(propylamino)phenyl]ethanone
CID 7304598
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911352
4-(prop-2-enylamino)benzaldehyde
CID 13020046
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
(4-acetylanilino)methanesulfinic acid
CID 175150534
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
3-[4-(prop-2-enylamino)phenyl]propanoic acid
CID 21163444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(prop-2-enylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(prop-2-enylamino)phenyl]ethanone (CID 21163521) is 1-[4-(prop-2-enylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(prop-2-enylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(prop-2-enylamino)phenyl]ethanone is C=CCNc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(prop-2-enylamino)phenyl]ethanone?
The InChIKey is DBLMZKNTKVVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-12-11-6-4-10(5-7-11)9(2)13/h3-7,12H,1,8H2,2H3.
What are the key properties of 1-[4-(prop-2-enylamino)phenyl]ethanone?
1-[4-(prop-2-enylamino)phenyl]ethanone has a molecular weight of 175.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(prop-2-enylamino)phenyl]ethanone is sourced from PubChem (CID 21163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).