2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile

C14H24N2O2 — CID 112625346

IUPAC2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCC(CO)C1
InChIInChI=1S/C14H24N2O2/c1-3-6-14(11-15,7-4-2)13(18)16-8-5-12(9-16)10-17/h12,17H,3-10H2,1-2H3
InChIKeyGSYDJNHCGOMBOX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds6

About 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile

2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile (PubChem CID 112625346) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
PubChem CID112625346
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCC(CO)C1
InChIInChI=1S/C14H24N2O2/c1-3-6-14(11-15,7-4-2)13(18)16-8-5-12(9-16)10-17/h12,17H,3-10H2,1-2H3
InChIKeyGSYDJNHCGOMBOX-UHFFFAOYSA-N
XLogP1.94
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile (CID 112625346) is 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
The InChIKey is GSYDJNHCGOMBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-14(11-15,7-4-2)13(18)16-8-5-12(9-16)10-17/h12,17H,3-10H2,1-2H3.
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile has a molecular weight of 252.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile is sourced from PubChem (CID 112625346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).