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

C11H16FNO2 — CID 143989427

IUPAC4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one
SMILESCOC/C=C\C1=C(C(C)F)C(=O)N(C)C1
InChIInChI=1S/C11H16FNO2/c1-8(12)10-9(5-4-6-15-3)7-13(2)11(10)14/h4-5,8H,6-7H2,1-3H3/b5-4-
InChIKeyBTUDRHMIBVONGW-PLNGDYQASA-N
MW213.25 g/mol
LogP1.32
Rot. Bonds4

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

4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one (PubChem CID 143989427) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one
PubChem CID143989427
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one
SMILESCOC/C=C\C1=C(C(C)F)C(=O)N(C)C1
InChIInChI=1S/C11H16FNO2/c1-8(12)10-9(5-4-6-15-3)7-13(2)11(10)14/h4-5,8H,6-7H2,1-3H3/b5-4-
InChIKeyBTUDRHMIBVONGW-PLNGDYQASA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.32
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
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CID 143989236
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-(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
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-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one (CID 143989427) is 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one is COC/C=C\C1=C(C(C)F)C(=O)N(C)C1.
What is the InChIKey of 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one?
The InChIKey is BTUDRHMIBVONGW-PLNGDYQASA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(12)10-9(5-4-6-15-3)7-13(2)11(10)14/h4-5,8H,6-7H2,1-3H3/b5-4-.
What are the key properties of 4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one?
4-(1-fluoroethyl)-3-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one has a molecular weight of 213.25 g/mol, XLogP of 1.32, 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-methoxyprop-1-enyl]-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 143989427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).