(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide

C14H16N2O2 — CID 86777025

IUPAC(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CCC1
InChIInChI=1S/C14H16N2O2/c15-13(17)12-8-10-4-1-2-7-11(10)16(12)14(18)9-5-3-6-9/h1-2,4,7,9,12H,3,5-6,8H2,(H2,15,17)/t12-/m0/s1
InChIKeyUZJVMRYBHKFIBU-LBPRGKRZSA-N
MW244.29 g/mol
LogP1.23
Rot. Bonds2

About (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 86777025) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
PubChem CID86777025
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CCC1
InChIInChI=1S/C14H16N2O2/c15-13(17)12-8-10-4-1-2-7-11(10)16(12)14(18)9-5-3-6-9/h1-2,4,7,9,12H,3,5-6,8H2,(H2,15,17)/t12-/m0/s1
InChIKeyUZJVMRYBHKFIBU-LBPRGKRZSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 62760682
(2S)-1-[(1S,2R)-2-nitrocyclopropanecarbonyl]-2,3-dihydroindole-2-carboxamide
CID 95157812
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide (CID 86777025) is (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide is NC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CCC1.
What is the InChIKey of (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is UZJVMRYBHKFIBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-13(17)12-8-10-4-1-2-7-11(10)16(12)14(18)9-5-3-6-9/h1-2,4,7,9,12H,3,5-6,8H2,(H2,15,17)/t12-/m0/s1.
What are the key properties of (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 86777025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).