2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile

C12H20N2O — CID 114339493

IUPAC2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
SMILESN#CCN1CCCC1C1CCCCC1O
InChIInChI=1S/C12H20N2O/c13-7-9-14-8-3-5-11(14)10-4-1-2-6-12(10)15/h10-12,15H,1-6,8-9H2
InChIKeyVTODMRVSKVQITH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.53
Rot. Bonds2

About 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile

2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile (PubChem CID 114339493) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
PubChem CID114339493
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
SMILESN#CCN1CCCC1C1CCCCC1O
InChIInChI=1S/C12H20N2O/c13-7-9-14-8-3-5-11(14)10-4-1-2-6-12(10)15/h10-12,15H,1-6,8-9H2
InChIKeyVTODMRVSKVQITH-UHFFFAOYSA-N
XLogP1.53
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(Pyrrolidin-2-yl)cyclohexan-1-ol
CID 79546692
3-(2-Cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile
CID 56790758
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339414
2-[1-(4,4,4-Trifluorobutyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339437
2-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339444
2-[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339463
2-[1-(3-Fluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339485
2-[1-(2-Fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339658
2-(Pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611100
2-[1-(Dimethylamino)ethyl]cyclohexan-1-ol
CID 135294210
3-Propyl-4-pyrrolidin-1-ylheptan-2-ol
CID 163745123
1-Cyclohexyl-2-pyrrolidin-1-ylethanol
CID 13509416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile (CID 114339493) is 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile is N#CCN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile?
The InChIKey is VTODMRVSKVQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-9-14-8-3-5-11(14)10-4-1-2-6-12(10)15/h10-12,15H,1-6,8-9H2.
What are the key properties of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile?
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile is sourced from PubChem (CID 114339493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).