3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one

C12H22N2O2 — CID 106137685

IUPAC3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
SMILESCC(O)CCCN1CCC(NC2CC2)C1=O
InChIInChI=1S/C12H22N2O2/c1-9(15)3-2-7-14-8-6-11(12(14)16)13-10-4-5-10/h9-11,13,15H,2-8H2,1H3
InChIKeyDTTQHLUHPICPGZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds6

About 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one

3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one (PubChem CID 106137685) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
PubChem CID106137685
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
SMILESCC(O)CCCN1CCC(NC2CC2)C1=O
InChIInChI=1S/C12H22N2O2/c1-9(15)3-2-7-14-8-6-11(12(14)16)13-10-4-5-10/h9-11,13,15H,2-8H2,1H3
InChIKeyDTTQHLUHPICPGZ-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106338480
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 65035410
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
CID 106305737
3-(cyclopropylamino)-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-2-one
CID 65313580
3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
CID 106432540
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278
3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 82874672
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
CID 107159445
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one (CID 106137685) is 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one is CC(O)CCCN1CCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one?
The InChIKey is DTTQHLUHPICPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(15)3-2-7-14-8-6-11(12(14)16)13-10-4-5-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one?
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one is sourced from PubChem (CID 106137685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).