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

C12H18N2O2 — CID 115746360

IUPAC1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCO)C2)CCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(4-1-5-12)11(16)14-6-2-10(8-14)3-7-15/h10,15H,1-8H2
InChIKeyJWBCSWWYERXZBX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.91
Rot. Bonds3

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

1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 115746360) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID115746360
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCO)C2)CCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(4-1-5-12)11(16)14-6-2-10(8-14)3-7-15/h10,15H,1-8H2
InChIKeyJWBCSWWYERXZBX-UHFFFAOYSA-N
XLogP0.91
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.91
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]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile (CID 115746360) is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCC(CCO)C2)CCC1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is JWBCSWWYERXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(4-1-5-12)11(16)14-6-2-10(8-14)3-7-15/h10,15H,1-8H2.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 0.91, 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]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115746360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).