1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile

C10H16N2O — CID 130900729

IUPAC1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile
SMILESCC(O)(C1CCCN1)C1(C#N)CC1
InChIInChI=1S/C10H16N2O/c1-9(13,8-3-2-6-12-8)10(7-11)4-5-10/h8,12-13H,2-6H2,1H3
InChIKeyNFJGWKXTIBTMQL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.79
Rot. Bonds2

About 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile

1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile (PubChem CID 130900729) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile
PubChem CID130900729
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile
SMILESCC(O)(C1CCCN1)C1(C#N)CC1
InChIInChI=1S/C10H16N2O/c1-9(13,8-3-2-6-12-8)10(7-11)4-5-10/h8,12-13H,2-6H2,1H3
InChIKeyNFJGWKXTIBTMQL-UHFFFAOYSA-N
XLogP0.79
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile (CID 130900729) is 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile is CC(O)(C1CCCN1)C1(C#N)CC1.
What is the InChIKey of 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile?
The InChIKey is NFJGWKXTIBTMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(13,8-3-2-6-12-8)10(7-11)4-5-10/h8,12-13H,2-6H2,1H3.
What are the key properties of 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile?
1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 130900729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).