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

C14H20FNO2 — CID 143990956

IUPAC3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
SMILESC=C(F)C1=C(C/C=C\C(C)OCC)CN(C)C1=O
InChIInChI=1S/C14H20FNO2/c1-5-18-10(2)7-6-8-12-9-16(4)14(17)13(12)11(3)15/h6-7,10H,3,5,8-9H2,1-2,4H3/b7-6-
InChIKeySEKFPRSLFGLFCY-SREVYHEPSA-N
MW253.32 g/mol
LogP2.61
Rot. Bonds6

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

3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one (PubChem CID 143990956) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
PubChem CID143990956
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
SMILESC=C(F)C1=C(C/C=C\C(C)OCC)CN(C)C1=O
InChIInChI=1S/C14H20FNO2/c1-5-18-10(2)7-6-8-12-9-16(4)14(17)13(12)11(3)15/h6-7,10H,3,5,8-9H2,1-2,4H3/b7-6-
InChIKeySEKFPRSLFGLFCY-SREVYHEPSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-ethoxy-2-ethyl-N-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylpenta-2,4-dienamide
CID 154937033
(3E,4Z)-6-ethoxy-3-(fluoromethylidene)-1-pyrrolidin-1-ylhepta-4,6-dien-1-one
CID 169663529
1-[(2E,3E,5E,6E)-6-ethenyl-2,5-di(ethylidene)octa-3,6-dienyl]-4-[1-(2-fluoro-2-methylpropoxy)ethenyl]-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 173678684
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
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
4-buta-1,3-dien-2-yl-3-(3-ethoxyprop-1-enyl)-1-methyl-2H-pyrrol-5-one
CID 91502773

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one (CID 143990956) is 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one is C=C(F)C1=C(C/C=C\C(C)OCC)CN(C)C1=O.
What is the InChIKey of 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
The InChIKey is SEKFPRSLFGLFCY-SREVYHEPSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-18-10(2)7-6-8-12-9-16(4)14(17)13(12)11(3)15/h6-7,10H,3,5,8-9H2,1-2,4H3/b7-6-.
What are the key properties of 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one has a molecular weight of 253.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-4-ethoxypent-2-enyl]-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 143990956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).