3-prop-1-enylbenzamide

C10H11NO — CID 70146317

IUPAC3-prop-1-enylbenzamide
SMILESCC=Cc1cccc(C(N)=O)c1
InChIInChI=1S/C10H11NO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h2-7H,1H3,(H2,11,12)
InChIKeyHMKBKZKUEIPZLX-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.82
Rot. Bonds2

About 3-prop-1-enylbenzamide

3-prop-1-enylbenzamide (PubChem CID 70146317) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-prop-1-enylbenzamide.

Molecular Properties

Compound Name3-prop-1-enylbenzamide
PubChem CID70146317
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-prop-1-enylbenzamide
SMILESCC=Cc1cccc(C(N)=O)c1
InChIInChI=1S/C10H11NO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h2-7H,1H3,(H2,11,12)
InChIKeyHMKBKZKUEIPZLX-UHFFFAOYSA-N
XLogP1.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-1-(3-prop-1-enylphenyl)ethanone
CID 70610552
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
3-[2-(6-methyl-2-pyridinyl)ethenyl]benzamide
CID 69156491
3-[2-(4-phenoxyphenyl)ethenyl]benzamide
CID 59728752
3-(methoxyiminomethyl)benzamide
CID 142643998
2-dimethoxyphosphoryl-1-(3-prop-1-enylphenyl)ethanone
CID 91051166
4-(3-acetylphenyl)but-3-enamide
CID 170797804
methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate
CID 142641908
3-carbamoylbenzoic acid
CID 3014284
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
CID 142453326
3-(methylamino)benzamide
CID 18727714

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enylbenzamide?
The IUPAC name of 3-prop-1-enylbenzamide (CID 70146317) is 3-prop-1-enylbenzamide.
What is the SMILES notation for 3-prop-1-enylbenzamide?
The canonical SMILES for 3-prop-1-enylbenzamide is CC=Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-prop-1-enylbenzamide?
The InChIKey is HMKBKZKUEIPZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h2-7H,1H3,(H2,11,12).
What are the key properties of 3-prop-1-enylbenzamide?
3-prop-1-enylbenzamide has a molecular weight of 161.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylbenzamide is sourced from PubChem (CID 70146317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).