3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one

C11H20N2O2 — CID 65035410

IUPAC3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
SMILESCC(CO)CN1CCC(NC2CC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-8(7-14)6-13-5-4-10(11(13)15)12-9-2-3-9/h8-10,12,14H,2-7H2,1H3
InChIKeyVFRCLPNBJZNCHQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds5

About 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one

3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one (PubChem CID 65035410) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
PubChem CID65035410
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
SMILESCC(CO)CN1CCC(NC2CC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-8(7-14)6-13-5-4-10(11(13)15)12-9-2-3-9/h8-10,12,14H,2-7H2,1H3
InChIKeyVFRCLPNBJZNCHQ-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one (CID 65035410) is 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one is CC(CO)CN1CCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one?
The InChIKey is VFRCLPNBJZNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(7-14)6-13-5-4-10(11(13)15)12-9-2-3-9/h8-10,12,14H,2-7H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one?
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 65035410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).