4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one

C12H17NO2 — CID 143990612

IUPAC4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C(C)OC)CN(C)C1=O
InChIInChI=1S/C12H17NO2/c1-5-11-10(7-6-9(2)15-4)8-13(3)12(11)14/h5-7,9H,1,8H2,2-4H3/b7-6-
InChIKeyYZVDYUNUZRIOMK-SREVYHEPSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds4

About 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one

4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one (PubChem CID 143990612) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
PubChem CID143990612
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C(C)OC)CN(C)C1=O
InChIInChI=1S/C12H17NO2/c1-5-11-10(7-6-9(2)15-4)8-13(3)12(11)14/h5-7,9H,1,8H2,2-4H3/b7-6-
InChIKeyYZVDYUNUZRIOMK-SREVYHEPSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12460624
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CID 139217731
4-Fluoro-6-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one
CID 143989236
4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one
CID 143989427
4-(fluoromethyl)-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-2H-pyrrol-5-one
CID 143990218
3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 143990956
4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
CID 143990994
4-(1-fluoroethenyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one
CID 143991028
4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
CID 143991487
[(Z,2R)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
CID 58630639
(2Z,4Z)-N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide
CID 89629791
(2Z,4Z)-N,N-diethyl-5-methyl-3-propoxyhepta-2,4,6-trienamide
CID 89629795

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one (CID 143990612) is 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one is C=CC1=C(/C=C\C(C)OC)CN(C)C1=O.
What is the InChIKey of 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
The InChIKey is YZVDYUNUZRIOMK-SREVYHEPSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-11-10(7-6-9(2)15-4)8-13(3)12(11)14/h5-7,9H,1,8H2,2-4H3/b7-6-.
What are the key properties of 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one has a molecular weight of 207.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 143990612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).