4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one

C11H14FNO2 — CID 143990994

IUPAC4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
SMILESC=C/C(OC)=C(/F)C1=C(C)CN(C)C1=O
InChIInChI=1S/C11H14FNO2/c1-5-8(15-4)10(12)9-7(2)6-13(3)11(9)14/h5H,1,6H2,2-4H3/b10-8-
InChIKeyVPFJALVLFWWSCY-NTMALXAHSA-N
MW211.24 g/mol
LogP1.79
Rot. Bonds3

About 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one

4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one (PubChem CID 143990994) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
PubChem CID143990994
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
SMILESC=C/C(OC)=C(/F)C1=C(C)CN(C)C1=O
InChIInChI=1S/C11H14FNO2/c1-5-8(15-4)10(12)9-7(2)6-13(3)11(9)14/h5H,1,6H2,2-4H3/b10-8-
InChIKeyVPFJALVLFWWSCY-NTMALXAHSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
CID 170260337
4,7-Difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one
CID 143965748
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-Fluoro-6-methoxy-2-methyl-1,4-dihydrocyclohepta[c]pyrrol-3-one
CID 143989996
4-(fluoromethyl)-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-2H-pyrrol-5-one
CID 143990218
4-Fluoro-5-methoxy-2-methyl-1,8-dihydrocyclohepta[c]pyrrol-3-one
CID 143990806
3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 143990956
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
N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide
CID 123850279
4-[(1E)-2-methoxybuta-1,3-dienyl]-3-methyl-1,2-dihydropyrrol-5-one
CID 143991415

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one (CID 143990994) is 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one is C=C/C(OC)=C(/F)C1=C(C)CN(C)C1=O.
What is the InChIKey of 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one?
The InChIKey is VPFJALVLFWWSCY-NTMALXAHSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-5-8(15-4)10(12)9-7(2)6-13(3)11(9)14/h5H,1,6H2,2-4H3/b10-8-.
What are the key properties of 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one?
4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one has a molecular weight of 211.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 143990994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).