N-(1-aminoprop-2-enyl)benzamide

C10H12N2O — CID 69046323

IUPACN-(1-aminoprop-2-enyl)benzamide
SMILESC=CC(N)NC(=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-2-9(11)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1,11H2,(H,12,13)
InChIKeyUGSJEVGINMGHIZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.89
Rot. Bonds3

About N-(1-aminoprop-2-enyl)benzamide

N-(1-aminoprop-2-enyl)benzamide (PubChem CID 69046323) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(1-aminoprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-(1-aminoprop-2-enyl)benzamide
PubChem CID69046323
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(1-aminoprop-2-enyl)benzamide
SMILESC=CC(N)NC(=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-2-9(11)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1,11H2,(H,12,13)
InChIKeyUGSJEVGINMGHIZ-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-fluoroprop-2-enyl)benzamide
CID 69227826
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877210
N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
CID 165345561
ethyl 3-benzamidopent-4-enoate
CID 10514640
prop-2-enyl 2-benzamidopropanoate
CID 2910482
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
2,2-dibenzamidoacetic acid
CID 12521150
N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide
CID 132517578
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-2-enyl)benzamide?
The IUPAC name of N-(1-aminoprop-2-enyl)benzamide (CID 69046323) is N-(1-aminoprop-2-enyl)benzamide.
What is the SMILES notation for N-(1-aminoprop-2-enyl)benzamide?
The canonical SMILES for N-(1-aminoprop-2-enyl)benzamide is C=CC(N)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-aminoprop-2-enyl)benzamide?
The InChIKey is UGSJEVGINMGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-9(11)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1,11H2,(H,12,13).
What are the key properties of N-(1-aminoprop-2-enyl)benzamide?
N-(1-aminoprop-2-enyl)benzamide has a molecular weight of 176.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoprop-2-enyl)benzamide is sourced from PubChem (CID 69046323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).