(5S)-5-(3-oxobutyl)pyrrolidin-2-one

C8H13NO2 — CID 174305223

IUPAC(5S)-5-(3-oxobutyl)pyrrolidin-2-one
SMILESCC(=O)CC[C@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c1-6(10)2-3-7-4-5-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)/t7-/m0/s1
InChIKeyOECVFCHIDMPFSJ-ZETCQYMHSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds3

About (5S)-5-(3-oxobutyl)pyrrolidin-2-one

(5S)-5-(3-oxobutyl)pyrrolidin-2-one (PubChem CID 174305223) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5S)-5-(3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-oxobutyl)pyrrolidin-2-one
PubChem CID174305223
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5S)-5-(3-oxobutyl)pyrrolidin-2-one
SMILESCC(=O)CC[C@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c1-6(10)2-3-7-4-5-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)/t7-/m0/s1
InChIKeyOECVFCHIDMPFSJ-ZETCQYMHSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(3-oxobutyl)pyrrolidin-2-one (CID 174305223) is (5S)-5-(3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(3-oxobutyl)pyrrolidin-2-one is CC(=O)CC[C@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-(3-oxobutyl)pyrrolidin-2-one?
The InChIKey is OECVFCHIDMPFSJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)2-3-7-4-5-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (5S)-5-(3-oxobutyl)pyrrolidin-2-one?
(5S)-5-(3-oxobutyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 174305223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).