2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile

C14H24N2O — CID 62942616

IUPAC2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCC(O)C2)C1
InChIInChI=1S/C14H24N2O/c1-2-3-11-4-5-12(9-15)14(8-11)16-7-6-13(17)10-16/h11-14,17H,2-8,10H2,1H3
InChIKeyFMVDXTPXNWHEAP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile

2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 62942616) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile
PubChem CID62942616
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCC(O)C2)C1
InChIInChI=1S/C14H24N2O/c1-2-3-11-4-5-12(9-15)14(8-11)16-7-6-13(17)10-16/h11-14,17H,2-8,10H2,1H3
InChIKeyFMVDXTPXNWHEAP-UHFFFAOYSA-N
XLogP2.16
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile (CID 62942616) is 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N2CCC(O)C2)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is FMVDXTPXNWHEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-11-4-5-12(9-15)14(8-11)16-7-6-13(17)10-16/h11-14,17H,2-8,10H2,1H3.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile?
2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 62942616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).