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

C11H16N2O2 — CID 80593461

IUPAC1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(O)C2)C1
InChIInChI=1S/C11H16N2O2/c1-8-4-11(5-8,7-12)10(15)13-3-2-9(14)6-13/h8-9,14H,2-6H2,1H3
InChIKeyKUNHJHMKQLLXHK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.52
Rot. Bonds1

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

1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile (PubChem CID 80593461) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
PubChem CID80593461
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CCC(O)C2)C1
InChIInChI=1S/C11H16N2O2/c1-8-4-11(5-8,7-12)10(15)13-3-2-9(14)6-13/h8-9,14H,2-6H2,1H3
InChIKeyKUNHJHMKQLLXHK-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.52
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)-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile (CID 80593461) is 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CCC(O)C2)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The InChIKey is KUNHJHMKQLLXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-4-11(5-8,7-12)10(15)13-3-2-9(14)6-13/h8-9,14H,2-6H2,1H3.
What are the key properties of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.52, 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)-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 80593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).