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

C12H18FNO2 — CID 143991487

IUPAC4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
SMILESCOC(C)/C=C\C1=C(C(C)F)C(=O)N(C)C1
InChIInChI=1S/C12H18FNO2/c1-8(16-4)5-6-10-7-14(3)12(15)11(10)9(2)13/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKeyVPXDYFBQCCWEQG-WAYWQWQTSA-N
MW227.28 g/mol
LogP1.70
Rot. Bonds4

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

4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one (PubChem CID 143991487) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
PubChem CID143991487
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
SMILESCOC(C)/C=C\C1=C(C(C)F)C(=O)N(C)C1
InChIInChI=1S/C12H18FNO2/c1-8(16-4)5-6-10-7-14(3)12(15)11(10)9(2)13/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKeyVPXDYFBQCCWEQG-WAYWQWQTSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,4Z)-6-ethoxy-3-(fluoromethylidene)-1-pyrrolidin-1-ylhepta-4,6-dien-1-one
CID 169663529
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-[(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-buta-1,3-dien-2-yl-3-(3-ethoxyprop-1-enyl)-1-methyl-2H-pyrrol-5-one
CID 91502773
1,4-diethyl-3-[(Z)-3-methoxyprop-1-enyl]-2H-pyrrol-5-one
CID 126748481
(Z)-N-acetyl-N-but-3-enyl-5-methoxy-2-propan-2-ylidenehex-3-enamide;ethane
CID 143887393

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one (CID 143991487) is 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one is COC(C)/C=C\C1=C(C(C)F)C(=O)N(C)C1.
What is the InChIKey of 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
The InChIKey is VPXDYFBQCCWEQG-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(16-4)5-6-10-7-14(3)12(15)11(10)9(2)13/h5-6,8-9H,7H2,1-4H3/b6-5-.
What are the key properties of 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one?
4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one has a molecular weight of 227.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 143991487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).