1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one

C12H22N2O2 — CID 115718781

IUPAC1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
SMILESCC(CCN1CCCC1=O)NC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-10(13-11-5-8-16-9-11)4-7-14-6-2-3-12(14)15/h10-11,13H,2-9H2,1H3
InChIKeyIFDYSGIFCHBILV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds5

About 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one

1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one (PubChem CID 115718781) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
PubChem CID115718781
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
SMILESCC(CCN1CCCC1=O)NC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-10(13-11-5-8-16-9-11)4-7-14-6-2-3-12(14)15/h10-11,13H,2-9H2,1H3
InChIKeyIFDYSGIFCHBILV-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
N-(1-bromopropan-2-yl)oxolan-3-amine
CID 107859755
1-[2-[(1,1-dioxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865825
1-[2-[(1-oxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54981585
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 75380800
1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 97226548
1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
CID 131943275

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one (CID 115718781) is 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one is CC(CCN1CCCC1=O)NC1CCOC1.
What is the InChIKey of 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one?
The InChIKey is IFDYSGIFCHBILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(13-11-5-8-16-9-11)4-7-14-6-2-3-12(14)15/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one?
1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one is sourced from PubChem (CID 115718781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).