1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

C10H14N2O2 — CID 80593460

IUPAC1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(O)C2)CCC1
InChIInChI=1S/C10H14N2O2/c11-7-10(3-1-4-10)9(14)12-5-2-8(13)6-12/h8,13H,1-6H2
InChIKeyAPRJMMWIZURGFI-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.27
Rot. Bonds1

About 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 80593460) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID80593460
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(O)C2)CCC1
InChIInChI=1S/C10H14N2O2/c11-7-10(3-1-4-10)9(14)12-5-2-8(13)6-12/h8,13H,1-6H2
InChIKeyAPRJMMWIZURGFI-UHFFFAOYSA-N
XLogP0.27
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 80593460) is 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCC(O)C2)CCC1.
What is the InChIKey of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is APRJMMWIZURGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-7-10(3-1-4-10)9(14)12-5-2-8(13)6-12/h8,13H,1-6H2.
What are the key properties of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 80593460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).