2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile

C17H21N3O — CID 62469250

IUPAC2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCCC2CCCO)cn2ccccc12
InChIInChI=1S/C17H21N3O/c18-11-16-14(13-20-8-2-1-7-17(16)20)12-19-9-3-5-15(19)6-4-10-21/h1-2,7-8,13,15,21H,3-6,9-10,12H2
InChIKeyLXXJACYOIIKWSG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.55
Rot. Bonds5

About 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile

2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 62469250) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID62469250
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCCC2CCCO)cn2ccccc12
InChIInChI=1S/C17H21N3O/c18-11-16-14(13-20-8-2-1-7-17(16)20)12-19-9-3-5-15(19)6-4-10-21/h1-2,7-8,13,15,21H,3-6,9-10,12H2
InChIKeyLXXJACYOIIKWSG-UHFFFAOYSA-N
XLogP2.55
TPSA51.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile (CID 62469250) is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile is N#Cc1c(CN2CCCC2CCCO)cn2ccccc12.
What is the InChIKey of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is LXXJACYOIIKWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-16-14(13-20-8-2-1-7-17(16)20)12-19-9-3-5-15(19)6-4-10-21/h1-2,7-8,13,15,21H,3-6,9-10,12H2.
What are the key properties of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 62469250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).