3-(3-aminoprop-1-enyl)benzamide

C10H12N2O — CID 169463660

IUPAC3-(3-aminoprop-1-enyl)benzamide
SMILESNCC=Cc1cccc(C(N)=O)c1
InChIInChI=1S/C10H12N2O/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7H,6,11H2,(H2,12,13)
InChIKeyMWRRBOXINWICHI-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.76
Rot. Bonds3

About 3-(3-aminoprop-1-enyl)benzamide

3-(3-aminoprop-1-enyl)benzamide (PubChem CID 169463660) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(3-aminoprop-1-enyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-enyl)benzamide
PubChem CID169463660
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(3-aminoprop-1-enyl)benzamide
SMILESNCC=Cc1cccc(C(N)=O)c1
InChIInChI=1S/C10H12N2O/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7H,6,11H2,(H2,12,13)
InChIKeyMWRRBOXINWICHI-UHFFFAOYSA-N
XLogP0.76
TPSA69.11 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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-prop-1-enylbenzamide
CID 70146317
4-(3-acetylphenyl)but-3-enamide
CID 170797804
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
3-[2-(4-phenoxyphenyl)ethenyl]benzamide
CID 59728752
benzyl N-[4-(3-carbamoylphenyl)but-3-enyl]carbamate
CID 170494143
methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
CID 169464038
3-[2-(6-methyl-2-pyridinyl)ethenyl]benzamide
CID 69156491
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 169464255
4-(3-carbamimidoylphenyl)but-3-enoic acid
CID 170483511
3-[3-(2-cyanoacetyl)phenyl]prop-2-enamide
CID 169482369
3-(4-oxobut-1-enyl)benzenecarboximidamide
CID 170481809

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-enyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-enyl)benzamide (CID 169463660) is 3-(3-aminoprop-1-enyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-enyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-enyl)benzamide is NCC=Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(3-aminoprop-1-enyl)benzamide?
The InChIKey is MWRRBOXINWICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7H,6,11H2,(H2,12,13).
What are the key properties of 3-(3-aminoprop-1-enyl)benzamide?
3-(3-aminoprop-1-enyl)benzamide has a molecular weight of 176.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-enyl)benzamide is sourced from PubChem (CID 169463660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).