(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide

C14H16N2O2 — CID 51474982

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CC1
InChIInChI=1S/C14H16N2O2/c1-15-13(17)12-8-10-4-2-3-5-11(10)16(12)14(18)9-6-7-9/h2-5,9,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyJUACKSZISNOXBV-LBPRGKRZSA-N
MW244.29 g/mol
LogP1.10
Rot. Bonds2

About (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 51474982) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID51474982
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CC1
InChIInChI=1S/C14H16N2O2/c1-15-13(17)12-8-10-4-2-3-5-11(10)16(12)14(18)9-6-7-9/h2-5,9,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyJUACKSZISNOXBV-LBPRGKRZSA-N
XLogP1.10
TPSA49.41 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428990
1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138051195
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41231276
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587991

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide (CID 51474982) is (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CC1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is JUACKSZISNOXBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-13(17)12-8-10-4-2-3-5-11(10)16(12)14(18)9-6-7-9/h2-5,9,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 51474982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).