3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile

C14H15N3O — CID 114015809

IUPAC3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(O)C3CCCN3)c12
InChIInChI=1S/C14H15N3O/c15-7-9-3-1-4-11-13(9)10(8-17-11)14(18)12-5-2-6-16-12/h1,3-4,8,12,14,16-18H,2,5-6H2
InChIKeyDGXOFFALXMAELZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.82
Rot. Bonds2

About 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile

3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile (PubChem CID 114015809) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile
PubChem CID114015809
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(O)C3CCCN3)c12
InChIInChI=1S/C14H15N3O/c15-7-9-3-1-4-11-13(9)10(8-17-11)14(18)12-5-2-6-16-12/h1,3-4,8,12,14,16-18H,2,5-6H2
InChIKeyDGXOFFALXMAELZ-UHFFFAOYSA-N
XLogP1.82
TPSA71.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile?
The IUPAC name of 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile (CID 114015809) is 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile?
The canonical SMILES for 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]cc(C(O)C3CCCN3)c12.
What is the InChIKey of 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile?
The InChIKey is DGXOFFALXMAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-7-9-3-1-4-11-13(9)10(8-17-11)14(18)12-5-2-6-16-12/h1,3-4,8,12,14,16-18H,2,5-6H2.
What are the key properties of 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile?
3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile is sourced from PubChem (CID 114015809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).