1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid

C14H13NO3 — CID 116920986

IUPAC1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
SMILESCn1cc(C(=O)C2(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C14H13NO3/c1-15-8-10(9-4-2-3-5-11(9)15)12(16)14(6-7-14)13(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyOGAOGSKJQPSSNN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid

1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 116920986) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID116920986
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
SMILESCn1cc(C(=O)C2(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C14H13NO3/c1-15-8-10(9-4-2-3-5-11(9)15)12(16)14(6-7-14)13(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyOGAOGSKJQPSSNN-UHFFFAOYSA-N
XLogP2.23
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
CID 14069774
1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921524
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552
1-methylindole-3-carbothioic S-acid
CID 116918837
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
CID 116918097

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid (CID 116920986) is 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid is Cn1cc(C(=O)C2(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is OGAOGSKJQPSSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-15-8-10(9-4-2-3-5-11(9)15)12(16)14(6-7-14)13(17)18/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid?
1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116920986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).