N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide

C12H16N2O2 — CID 93083353

IUPACN-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H16N2O2/c1-8(15)7-14-12(16)10-2-3-11-9(6-10)4-5-13-11/h2-3,6,8,13,15H,4-5,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyLFAWYIIATMNLTD-QMMMGPOBSA-N
MW220.27 g/mol
LogP0.77
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide

N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 93083353) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID93083353
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H16N2O2/c1-8(15)7-14-12(16)10-2-3-11-9(6-10)4-5-13-11/h2-3,6,8,13,15H,4-5,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyLFAWYIIATMNLTD-QMMMGPOBSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-4-methylpentyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61276033
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 79362938
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide (CID 93083353) is N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide is C[C@H](O)CNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is LFAWYIIATMNLTD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(15)7-14-12(16)10-2-3-11-9(6-10)4-5-13-11/h2-3,6,8,13,15H,4-5,7H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide?
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 93083353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).