1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid

C14H15NO3 — CID 55034928

IUPAC1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C14H15NO3/c1-9-8-10-4-2-3-5-11(10)15(9)12(16)14(6-7-14)13(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeySFMDHKYMUPKDGU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.83
Rot. Bonds2

About 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid

1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 55034928) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID55034928
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C14H15NO3/c1-9-8-10-4-2-3-5-11(10)15(9)12(16)14(6-7-14)13(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeySFMDHKYMUPKDGU-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982421
N-(4-bromophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982936
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108975178

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid (CID 55034928) is 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid is CC1Cc2ccccc2N1C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is SFMDHKYMUPKDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-8-10-4-2-3-5-11(10)15(9)12(16)14(6-7-14)13(17)18/h2-5,9H,6-8H2,1H3,(H,17,18).
What are the key properties of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid?
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55034928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).