3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile

C10H10N2O — CID 162420742

IUPAC3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2c1C(CO)CN2
InChIInChI=1S/C10H10N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,8,12-13H,5-6H2
InChIKeyNBEDCLOFKYKPKU-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.06
Rot. Bonds1

About 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile

3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile (PubChem CID 162420742) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile
PubChem CID162420742
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2c1C(CO)CN2
InChIInChI=1S/C10H10N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,8,12-13H,5-6H2
InChIKeyNBEDCLOFKYKPKU-UHFFFAOYSA-N
XLogP1.06
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile?
The IUPAC name of 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile (CID 162420742) is 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile is N#Cc1cccc2c1C(CO)CN2.
What is the InChIKey of 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile?
The InChIKey is NBEDCLOFKYKPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,8,12-13H,5-6H2.
What are the key properties of 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile?
3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile is sourced from PubChem (CID 162420742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).