propanoic acid;pyrrolidin-2-one

C7H13NO3 — CID 163580997

IUPACpropanoic acid;pyrrolidin-2-one
SMILESCCC(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C3H6O2/c6-4-2-1-3-5-4;1-2-3(4)5/h1-3H2,(H,5,6);2H2,1H3,(H,4,5)
InChIKeyGHNIDWHRAYQDGV-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds1

About propanoic acid;pyrrolidin-2-one

propanoic acid;pyrrolidin-2-one (PubChem CID 163580997) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is propanoic acid;pyrrolidin-2-one.

Molecular Properties

Compound Namepropanoic acid;pyrrolidin-2-one
PubChem CID163580997
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namepropanoic acid;pyrrolidin-2-one
SMILESCCC(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C3H6O2/c6-4-2-1-3-5-4;1-2-3(4)5/h1-3H2,(H,5,6);2H2,1H3,(H,4,5)
InChIKeyGHNIDWHRAYQDGV-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze propanoic acid;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-2-one;butan-2-one
CID 174586665
sodium;carbonic acid;pyrrolidin-2-one
CID 19352761
benzene;cyclohexane;ethane;pyrrolidin-2-one
CID 157259097
ethanamine;pyrrolidin-2-one
CID 175437150
octadecanoic acid;pyrrolidin-2-one;zinc
CID 67236635
ethane;pyrrolidin-2-one
CID 54451151
azepan-2-one;pyrrolidin-2-one
CID 22023756
hexadecane;pyrrolidin-2-one
CID 158475613
astatane;pyrrolidin-2-one
CID 174831438
arsane;pyrrolidin-2-one
CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
but-3-enoic acid;ethene;pyrrolidin-2-one
CID 157363555

Frequently Asked Questions

What is the IUPAC name of propanoic acid;pyrrolidin-2-one?
The IUPAC name of propanoic acid;pyrrolidin-2-one (CID 163580997) is propanoic acid;pyrrolidin-2-one.
What is the SMILES notation for propanoic acid;pyrrolidin-2-one?
The canonical SMILES for propanoic acid;pyrrolidin-2-one is CCC(=O)O.O=C1CCCN1.
What is the InChIKey of propanoic acid;pyrrolidin-2-one?
The InChIKey is GHNIDWHRAYQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H6O2/c6-4-2-1-3-5-4;1-2-3(4)5/h1-3H2,(H,5,6);2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;pyrrolidin-2-one?
propanoic acid;pyrrolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;pyrrolidin-2-one is sourced from PubChem (CID 163580997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).