(2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C10H12N2O — CID 42281787

IUPAC(2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C10H12N2O/c1-11-10(13)9-6-7-4-2-3-5-8(7)12-9/h2-5,9,12H,6H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyBAUHDHWVXAOSEF-VIFPVBQESA-N
MW176.22 g/mol
LogP0.77
Rot. Bonds1

About (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 42281787) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID42281787
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C10H12N2O/c1-11-10(13)9-6-7-4-2-3-5-8(7)12-9/h2-5,9,12H,6H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyBAUHDHWVXAOSEF-VIFPVBQESA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 42281787) is (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BAUHDHWVXAOSEF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O/c1-11-10(13)9-6-7-4-2-3-5-8(7)12-9/h2-5,9,12H,6H2,1H3,(H,11,13)/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 42281787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).