1-(1-hydroxybutan-2-yl)pyrrolidin-2-one

C8H15NO2 — CID 53434863

IUPAC1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
SMILESCCC(CO)N1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-2-7(6-10)9-5-3-4-8(9)11/h7,10H,2-6H2,1H3
InChIKeyCTCWBXABZAYHTH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.38
Rot. Bonds3

About 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one

1-(1-hydroxybutan-2-yl)pyrrolidin-2-one (PubChem CID 53434863) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
PubChem CID53434863
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
SMILESCCC(CO)N1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-2-7(6-10)9-5-3-4-8(9)11/h7,10H,2-6H2,1H3
InChIKeyCTCWBXABZAYHTH-UHFFFAOYSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one (CID 53434863) is 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one is CCC(CO)N1CCCC1=O.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
The InChIKey is CTCWBXABZAYHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-7(6-10)9-5-3-4-8(9)11/h7,10H,2-6H2,1H3.
What are the key properties of 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
1-(1-hydroxybutan-2-yl)pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 53434863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).