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

C14H24N2O — CID 62467729

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCCC1CCCO
InChIInChI=1S/C14H24N2O/c15-11-12-5-1-2-8-14(12)16-9-3-6-13(16)7-4-10-17/h12-14,17H,1-10H2
InChIKeyYMXYLDBTQRIGCU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds4

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

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 62467729) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID62467729
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCCC1CCCO
InChIInChI=1S/C14H24N2O/c15-11-12-5-1-2-8-14(12)16-9-3-6-13(16)7-4-10-17/h12-14,17H,1-10H2
InChIKeyYMXYLDBTQRIGCU-UHFFFAOYSA-N
XLogP2.31
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 61406591
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 62467066
7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
CID 162993696
2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile
CID 139986737
4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 61407617
3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 103857795
3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol
CID 79469053
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43592079
3-bromo-5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzonitrile
CID 102816196
4-ethyl-2-(2-ethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291929
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile (CID 62467729) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile is N#CC1CCCCC1N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is YMXYLDBTQRIGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-11-12-5-1-2-8-14(12)16-9-3-6-13(16)7-4-10-17/h12-14,17H,1-10H2.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62467729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).