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

C13H16N2O2 — CID 80567154

IUPACN-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NC1CC(O)C1)C1CNc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-9-5-8(6-9)15-13(17)11-7-14-12-4-2-1-3-10(11)12/h1-4,8-9,11,14,16H,5-7H2,(H,15,17)
InChIKeyCWNUKULQFFFISY-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.84
Rot. Bonds2

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

N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567154) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567154
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NC1CC(O)C1)C1CNc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-9-5-8(6-9)15-13(17)11-7-14-12-4-2-1-3-10(11)12/h1-4,8-9,11,14,16H,5-7H2,(H,15,17)
InChIKeyCWNUKULQFFFISY-UHFFFAOYSA-N
XLogP0.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohex-3-en-1-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567255
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106135230
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide
CID 103307344
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565291
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107863327

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80567154) is N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NC1CC(O)C1)C1CNc2ccccc21.
What is the InChIKey of N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is CWNUKULQFFFISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-9-5-8(6-9)15-13(17)11-7-14-12-4-2-1-3-10(11)12/h1-4,8-9,11,14,16H,5-7H2,(H,15,17).
What are the key properties of N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80567154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).