N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide

C11H14N2O — CID 131124936

IUPACN-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
SMILESC=C[C@H](N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H14N2O/c1-3-11(12)9-4-6-10(7-5-9)13-8(2)14/h3-7,11H,1,12H2,2H3,(H,13,14)/t11-/m0/s1
InChIKeyQJWGEJFZHRVNMC-NSHDSACASA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds3

About N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide

N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide (PubChem CID 131124936) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
PubChem CID131124936
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
SMILESC=C[C@H](N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H14N2O/c1-3-11(12)9-4-6-10(7-5-9)13-8(2)14/h3-7,11H,1,12H2,2H3,(H,13,14)/t11-/m0/s1
InChIKeyQJWGEJFZHRVNMC-NSHDSACASA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[5-[(1R)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 55274663
N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 130955914
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
methyl 4-[(1R)-1-aminoprop-2-enyl]benzoate;hydrochloride
CID 171212672
N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide
CID 166970997
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide (CID 131124936) is N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide is C=C[C@H](N)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide?
The InChIKey is QJWGEJFZHRVNMC-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(12)9-4-6-10(7-5-9)13-8(2)14/h3-7,11H,1,12H2,2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide?
N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide has a molecular weight of 190.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide is sourced from PubChem (CID 131124936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).