2-prop-1-en-2-yl-1H-indole-5-carboxylic acid

C12H11NO2 — CID 166785010

IUPAC2-prop-1-en-2-yl-1H-indole-5-carboxylic acid
SMILESC=C(C)c1cc2cc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C12H11NO2/c1-7(2)11-6-9-5-8(12(14)15)3-4-10(9)13-11/h3-6,13H,1H2,2H3,(H,14,15)
InChIKeyPQIBTIYQESCPNR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.90
Rot. Bonds2

About 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid

2-prop-1-en-2-yl-1H-indole-5-carboxylic acid (PubChem CID 166785010) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-prop-1-en-2-yl-1H-indole-5-carboxylic acid
PubChem CID166785010
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-prop-1-en-2-yl-1H-indole-5-carboxylic acid
SMILESC=C(C)c1cc2cc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C12H11NO2/c1-7(2)11-6-9-5-8(12(14)15)3-4-10(9)13-11/h3-6,13H,1H2,2H3,(H,14,15)
InChIKeyPQIBTIYQESCPNR-UHFFFAOYSA-N
XLogP2.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1H-indole-5-carboxylic acid
CID 22708328
2-carbamoyl-1H-indole-6-carboxylic acid
CID 70896199
5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
CID 170861029
5-propan-2-yloxycarbonyl-1H-indole-2-carboxylic acid
CID 68855698
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
2-(2-hydroxyphenyl)-1H-indole-5-carboxylic acid
CID 54131699
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
2-oxo-1H-quinazoline-6-carboxylic acid
CID 141121485
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 68683143

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid?
The IUPAC name of 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid (CID 166785010) is 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid?
The canonical SMILES for 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid is C=C(C)c1cc2cc(C(=O)O)ccc2[nH]1.
What is the InChIKey of 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid?
The InChIKey is PQIBTIYQESCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7(2)11-6-9-5-8(12(14)15)3-4-10(9)13-11/h3-6,13H,1H2,2H3,(H,14,15).
What are the key properties of 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid?
2-prop-1-en-2-yl-1H-indole-5-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 166785010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).