2-[3-(methylamino)prop-1-enyl]benzoic acid

C11H13NO2 — CID 169473456

IUPAC2-[3-(methylamino)prop-1-enyl]benzoic acid
SMILESCNCC=Cc1ccccc1C(=O)O
InChIInChI=1S/C11H13NO2/c1-12-8-4-6-9-5-2-3-7-10(9)11(13)14/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyFJCCRIRRYJDDQG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds4

About 2-[3-(methylamino)prop-1-enyl]benzoic acid

2-[3-(methylamino)prop-1-enyl]benzoic acid (PubChem CID 169473456) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]benzoic acid
PubChem CID169473456
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[3-(methylamino)prop-1-enyl]benzoic acid
SMILESCNCC=Cc1ccccc1C(=O)O
InChIInChI=1S/C11H13NO2/c1-12-8-4-6-9-5-2-3-7-10(9)11(13)14/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyFJCCRIRRYJDDQG-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-but-1-enylbenzoic acid
CID 66860810
4,5-difluoro-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474117
2-hept-1-enylbenzoic acid
CID 70379014
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148
2,4-dihydroxy-5-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474071
3-(3-acetamidoprop-1-enyl)-2-methylbenzoic acid
CID 169465735
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
2-[3-(methylamino)prop-1-enyl]thiophene-3-carboxylic acid
CID 169473179
2-[2-(2-bromophenyl)ethenyl]benzoic acid
CID 54475842
2-[(1E)-buta-1,3-dienyl]benzoic acid
CID 20520746
2-methoxy-3-(4-methoxy-4-oxobut-1-enyl)benzoic acid
CID 170501461

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]benzoic acid?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]benzoic acid (CID 169473456) is 2-[3-(methylamino)prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]benzoic acid?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]benzoic acid is CNCC=Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]benzoic acid?
The InChIKey is FJCCRIRRYJDDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-8-4-6-9-5-2-3-7-10(9)11(13)14/h2-7,12H,8H2,1H3,(H,13,14).
What are the key properties of 2-[3-(methylamino)prop-1-enyl]benzoic acid?
2-[3-(methylamino)prop-1-enyl]benzoic acid has a molecular weight of 191.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-enyl]benzoic acid is sourced from PubChem (CID 169473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).