1-(1-butylazetidin-3-yl)pyrrolidin-2-one

C11H20N2O — CID 176923979

IUPAC1-(1-butylazetidin-3-yl)pyrrolidin-2-one
SMILESCCCCN1CC(N2CCCC2=O)C1
InChIInChI=1S/C11H20N2O/c1-2-3-6-12-8-10(9-12)13-7-4-5-11(13)14/h10H,2-9H2,1H3
InChIKeyNSPSKXRQZQIFJQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.09
Rot. Bonds4

About 1-(1-butylazetidin-3-yl)pyrrolidin-2-one

1-(1-butylazetidin-3-yl)pyrrolidin-2-one (PubChem CID 176923979) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-butylazetidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-butylazetidin-3-yl)pyrrolidin-2-one
PubChem CID176923979
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-butylazetidin-3-yl)pyrrolidin-2-one
SMILESCCCCN1CC(N2CCCC2=O)C1
InChIInChI=1S/C11H20N2O/c1-2-3-6-12-8-10(9-12)13-7-4-5-11(13)14/h10H,2-9H2,1H3
InChIKeyNSPSKXRQZQIFJQ-UHFFFAOYSA-N
XLogP1.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
CID 111116676
4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
CID 117005737
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-(1-propylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183852
2-[3-(propan-2-ylamino)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862741
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
butane;1-butylpiperidin-4-one
CID 177152756
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 75515986
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylazetidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-butylazetidin-3-yl)pyrrolidin-2-one (CID 176923979) is 1-(1-butylazetidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-butylazetidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-butylazetidin-3-yl)pyrrolidin-2-one is CCCCN1CC(N2CCCC2=O)C1.
What is the InChIKey of 1-(1-butylazetidin-3-yl)pyrrolidin-2-one?
The InChIKey is NSPSKXRQZQIFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-6-12-8-10(9-12)13-7-4-5-11(13)14/h10H,2-9H2,1H3.
What are the key properties of 1-(1-butylazetidin-3-yl)pyrrolidin-2-one?
1-(1-butylazetidin-3-yl)pyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylazetidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 176923979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).