4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile

C13H22N2O — CID 62943180

IUPAC4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC(O)C2)C1
InChIInChI=1S/C13H22N2O/c1-2-10-3-4-11(8-14)13(7-10)15-6-5-12(16)9-15/h10-13,16H,2-7,9H2,1H3
InChIKeyCYLLVDWHKWZAAE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.77
Rot. Bonds2

About 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile

4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 62943180) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID62943180
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC(O)C2)C1
InChIInChI=1S/C13H22N2O/c1-2-10-3-4-11(8-14)13(7-10)15-6-5-12(16)9-15/h10-13,16H,2-7,9H2,1H3
InChIKeyCYLLVDWHKWZAAE-UHFFFAOYSA-N
XLogP1.77
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile (CID 62943180) is 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCC(O)C2)C1.
What is the InChIKey of 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is CYLLVDWHKWZAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-10-3-4-11(8-14)13(7-10)15-6-5-12(16)9-15/h10-13,16H,2-7,9H2,1H3.
What are the key properties of 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile?
4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-hydroxypyrrolidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62943180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).