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

C13H20N2O2 — CID 112625354

IUPAC1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C13H20N2O2/c1-9-5-13(6-9,8-14)12(17)15-4-3-11(7-15)10(2)16/h9-11,16H,3-7H2,1-2H3
InChIKeyFMEBXRGSRLMGEN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.16
Rot. Bonds2

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

1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (PubChem CID 112625354) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
PubChem CID112625354
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C13H20N2O2/c1-9-5-13(6-9,8-14)12(17)15-4-3-11(7-15)10(2)16/h9-11,16H,3-7H2,1-2H3
InChIKeyFMEBXRGSRLMGEN-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile (CID 112625354) is 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CCC(C(C)O)C2)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The InChIKey is FMEBXRGSRLMGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-13(6-9,8-14)12(17)15-4-3-11(7-15)10(2)16/h9-11,16H,3-7H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile?
1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 112625354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).