1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile

C13H20N2O2 — CID 113340539

IUPAC1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(CCO)C2)C1
InChIInChI=1S/C13H20N2O2/c1-10-6-13(7-10,9-14)12(17)15-4-2-11(8-15)3-5-16/h10-11,16H,2-8H2,1H3
InChIKeyAGGIYSWCRNEJNV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.16
Rot. Bonds3

About 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile

1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (PubChem CID 113340539) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
PubChem CID113340539
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(CCO)C2)C1
InChIInChI=1S/C13H20N2O2/c1-10-6-13(7-10,9-14)12(17)15-4-2-11(8-15)3-5-16/h10-11,16H,2-8H2,1H3
InChIKeyAGGIYSWCRNEJNV-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (CID 113340539) is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CCC(CCO)C2)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The InChIKey is AGGIYSWCRNEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-13(7-10,9-14)12(17)15-4-2-11(8-15)3-5-16/h10-11,16H,2-8H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 113340539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).