5-(1,4-dihydroxybutyl)pyrrolidin-2-one

C8H15NO3 — CID 59336224

IUPAC5-(1,4-dihydroxybutyl)pyrrolidin-2-one
SMILESO=C1CCC(C(O)CCCO)N1
InChIInChI=1S/C8H15NO3/c10-5-1-2-7(11)6-3-4-8(12)9-6/h6-7,10-11H,1-5H2,(H,9,12)
InChIKeyPTHPIBGJMUCJHC-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.60
Rot. Bonds4

About 5-(1,4-dihydroxybutyl)pyrrolidin-2-one

5-(1,4-dihydroxybutyl)pyrrolidin-2-one (PubChem CID 59336224) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-(1,4-dihydroxybutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1,4-dihydroxybutyl)pyrrolidin-2-one
PubChem CID59336224
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name5-(1,4-dihydroxybutyl)pyrrolidin-2-one
SMILESO=C1CCC(C(O)CCCO)N1
InChIInChI=1S/C8H15NO3/c10-5-1-2-7(11)6-3-4-8(12)9-6/h6-7,10-11H,1-5H2,(H,9,12)
InChIKeyPTHPIBGJMUCJHC-UHFFFAOYSA-N
XLogP-0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dihydroxybutyl)pyrrolidin-2-one?
The IUPAC name of 5-(1,4-dihydroxybutyl)pyrrolidin-2-one (CID 59336224) is 5-(1,4-dihydroxybutyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1,4-dihydroxybutyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1,4-dihydroxybutyl)pyrrolidin-2-one is O=C1CCC(C(O)CCCO)N1.
What is the InChIKey of 5-(1,4-dihydroxybutyl)pyrrolidin-2-one?
The InChIKey is PTHPIBGJMUCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-1-2-7(11)6-3-4-8(12)9-6/h6-7,10-11H,1-5H2,(H,9,12).
What are the key properties of 5-(1,4-dihydroxybutyl)pyrrolidin-2-one?
5-(1,4-dihydroxybutyl)pyrrolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dihydroxybutyl)pyrrolidin-2-one is sourced from PubChem (CID 59336224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).