methyl prop-2-enoate;pyrrolidin-2-one

C8H13NO3 — CID 68954032

IUPACmethyl prop-2-enoate;pyrrolidin-2-one
SMILESC=CC(=O)OC.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H6O2/c6-4-2-1-3-5-4;1-3-4(5)6-2/h1-3H2,(H,5,6);3H,1H2,2H3
InChIKeyYPOCKHYRMGXBCK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds1

About methyl prop-2-enoate;pyrrolidin-2-one

methyl prop-2-enoate;pyrrolidin-2-one (PubChem CID 68954032) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl prop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Namemethyl prop-2-enoate;pyrrolidin-2-one
PubChem CID68954032
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl prop-2-enoate;pyrrolidin-2-one
SMILESC=CC(=O)OC.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H6O2/c6-4-2-1-3-5-4;1-3-4(5)6-2/h1-3H2,(H,5,6);3H,1H2,2H3
InChIKeyYPOCKHYRMGXBCK-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethenylpyrrolidin-2-one;methyl prop-2-enoate
CID 21524937
(2-Oxopyrrolidin-1-yl)methyl prop-2-enoate
CID 18414896
Butyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 18702438
Methyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19702429
Bis(prop-2-enoic acid);pyrrolidin-2-one
CID 20263302
1-(2-Oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 22395561
Ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 22435834
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788
Prop-2-enyl butanoate;pyrrolidin-2-one
CID 68796095
Acetic acid;prop-2-enoic acid;pyrrolidin-2-one
CID 70396499
(Z)-4-methoxy-4-oxobut-2-enoic acid;pyrrolidin-2-one
CID 70562286

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;pyrrolidin-2-one?
The IUPAC name of methyl prop-2-enoate;pyrrolidin-2-one (CID 68954032) is methyl prop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for methyl prop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for methyl prop-2-enoate;pyrrolidin-2-one is C=CC(=O)OC.O=C1CCCN1.
What is the InChIKey of methyl prop-2-enoate;pyrrolidin-2-one?
The InChIKey is YPOCKHYRMGXBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H6O2/c6-4-2-1-3-5-4;1-3-4(5)6-2/h1-3H2,(H,5,6);3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;pyrrolidin-2-one?
methyl prop-2-enoate;pyrrolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 68954032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).