4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one

C9H10FNO — CID 143920331

IUPAC4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
SMILESC/C=C\C1=C(/C=C/F)CC(=O)N1
InChIInChI=1S/C9H10FNO/c1-2-3-8-7(4-5-10)6-9(12)11-8/h2-5H,6H2,1H3,(H,11,12)/b3-2-,5-4+
InChIKeyPCGNIIUSPKZRMZ-AWYLAFAOSA-N
MW167.18 g/mol
LogP1.82
Rot. Bonds2

About 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one

4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one (PubChem CID 143920331) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
PubChem CID143920331
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
SMILESC/C=C\C1=C(/C=C/F)CC(=O)N1
InChIInChI=1S/C9H10FNO/c1-2-3-8-7(4-5-10)6-9(12)11-8/h2-5H,6H2,1H3,(H,11,12)/b3-2-,5-4+
InChIKeyPCGNIIUSPKZRMZ-AWYLAFAOSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopenta-2,4-dien-1-ylideneethyl)acetamide
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N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
CID 67558352
5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 89364750
3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]butanamide
CID 123172088
5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one
CID 123235294
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129
N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293212
N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143601144
4-[(E)-2-fluoroethenyl]-2-oxo-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrole-3-carbaldehyde
CID 143920330
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-2-oxo-1,3-dihydropyrrole-3-carbaldehyde
CID 143920332
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920333

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one?
The IUPAC name of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one (CID 143920331) is 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one.
What is the SMILES notation for 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one?
The canonical SMILES for 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one is C/C=C\C1=C(/C=C/F)CC(=O)N1.
What is the InChIKey of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one?
The InChIKey is PCGNIIUSPKZRMZ-AWYLAFAOSA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-3-8-7(4-5-10)6-9(12)11-8/h2-5H,6H2,1H3,(H,11,12)/b3-2-,5-4+.
What are the key properties of 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one?
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one has a molecular weight of 167.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one is sourced from PubChem (CID 143920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).