3-carbamoyl-5-ethenylbenzoic acid

C10H9NO3 — CID 69341788

IUPAC3-carbamoyl-5-ethenylbenzoic acid
SMILESC=Cc1cc(C(N)=O)cc(C(=O)O)c1
InChIInChI=1S/C10H9NO3/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h2-5H,1H2,(H2,11,12)(H,13,14)
InChIKeyUHWLKYWWWFACCQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.13
Rot. Bonds3

About 3-carbamoyl-5-ethenylbenzoic acid

3-carbamoyl-5-ethenylbenzoic acid (PubChem CID 69341788) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-carbamoyl-5-ethenylbenzoic acid.

Molecular Properties

Compound Name3-carbamoyl-5-ethenylbenzoic acid
PubChem CID69341788
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-carbamoyl-5-ethenylbenzoic acid
SMILESC=Cc1cc(C(N)=O)cc(C(=O)O)c1
InChIInChI=1S/C10H9NO3/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h2-5H,1H2,(H2,11,12)(H,13,14)
InChIKeyUHWLKYWWWFACCQ-UHFFFAOYSA-N
XLogP1.13
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-ethenylbenzoic acid?
The IUPAC name of 3-carbamoyl-5-ethenylbenzoic acid (CID 69341788) is 3-carbamoyl-5-ethenylbenzoic acid.
What is the SMILES notation for 3-carbamoyl-5-ethenylbenzoic acid?
The canonical SMILES for 3-carbamoyl-5-ethenylbenzoic acid is C=Cc1cc(C(N)=O)cc(C(=O)O)c1.
What is the InChIKey of 3-carbamoyl-5-ethenylbenzoic acid?
The InChIKey is UHWLKYWWWFACCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h2-5H,1H2,(H2,11,12)(H,13,14).
What are the key properties of 3-carbamoyl-5-ethenylbenzoic acid?
3-carbamoyl-5-ethenylbenzoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-5-ethenylbenzoic acid is sourced from PubChem (CID 69341788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).