prop-2-enyl butanoate;pyrrolidin-2-one

C11H19NO3 — CID 68796095

IUPACprop-2-enyl butanoate;pyrrolidin-2-one
SMILESC=CCOC(=O)CCC.O=C1CCCN1
InChIInChI=1S/C7H12O2.C4H7NO/c1-3-5-7(8)9-6-4-2;6-4-2-1-3-5-4/h4H,2-3,5-6H2,1H3;1-3H2,(H,5,6)
InChIKeyZZNKYQMDPVQZFI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds4

About prop-2-enyl butanoate;pyrrolidin-2-one

prop-2-enyl butanoate;pyrrolidin-2-one (PubChem CID 68796095) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is prop-2-enyl butanoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameprop-2-enyl butanoate;pyrrolidin-2-one
PubChem CID68796095
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameprop-2-enyl butanoate;pyrrolidin-2-one
SMILESC=CCOC(=O)CCC.O=C1CCCN1
InChIInChI=1S/C7H12O2.C4H7NO/c1-3-5-7(8)9-6-4-2;6-4-2-1-3-5-4/h4H,2-3,5-6H2,1H3;1-3H2,(H,5,6)
InChIKeyZZNKYQMDPVQZFI-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Propanoylamino)butyl prop-2-enoate
CID 17789548
Butyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 18702438
Ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 22435834
Prop-2-enyl 4-(2-oxobutanoylamino)butanoate
CID 59869352
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788
Methyl prop-2-enoate;pyrrolidin-2-one
CID 68954032
Methyl 5-oxopyrrolidine-3-carboxylate;1-prop-2-enoxypropane
CID 70179871
Dibutyl but-2-enedioate;pyrrolidin-2-one
CID 70591024
dibutyl (Z)-but-2-enedioate;pyrrolidin-2-one
CID 70594302
Prop-2-enyl 4-(2-methylprop-2-enoylamino)butanoate
CID 156108719
Ethene;ethenyl acetate;pyrrolidin-2-one
CID 162186699

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl butanoate;pyrrolidin-2-one?
The IUPAC name of prop-2-enyl butanoate;pyrrolidin-2-one (CID 68796095) is prop-2-enyl butanoate;pyrrolidin-2-one.
What is the SMILES notation for prop-2-enyl butanoate;pyrrolidin-2-one?
The canonical SMILES for prop-2-enyl butanoate;pyrrolidin-2-one is C=CCOC(=O)CCC.O=C1CCCN1.
What is the InChIKey of prop-2-enyl butanoate;pyrrolidin-2-one?
The InChIKey is ZZNKYQMDPVQZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H7NO/c1-3-5-7(8)9-6-4-2;6-4-2-1-3-5-4/h4H,2-3,5-6H2,1H3;1-3H2,(H,5,6).
What are the key properties of prop-2-enyl butanoate;pyrrolidin-2-one?
prop-2-enyl butanoate;pyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl butanoate;pyrrolidin-2-one is sourced from PubChem (CID 68796095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).