(Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one

C7H10FNO — CID 123603119

IUPAC(Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one
SMILESC/N=C/C(F)=C(\C)C(C)=O
InChIInChI=1S/C7H10FNO/c1-5(6(2)10)7(8)4-9-3/h4H,1-3H3/b7-5-,9-4+
InChIKeySOUBMMVPMDEEEM-YQDRFQIPSA-N
MW143.16 g/mol
LogP1.52
Rot. Bonds2

About (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one

(Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one (PubChem CID 123603119) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one
PubChem CID123603119
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one
SMILESC/N=C/C(F)=C(\C)C(C)=O
InChIInChI=1S/C7H10FNO/c1-5(6(2)10)7(8)4-9-3/h4H,1-3H3/b7-5-,9-4+
InChIKeySOUBMMVPMDEEEM-YQDRFQIPSA-N
XLogP1.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(Methylamino)methylidene]pentane-2,4-dione
CID 135468272
1-[3-(1,1-difluoroethyl)-2H-pyrrol-4-yl]ethanone
CID 123169503
5,5-Difluoro-4-hydroxy-3-(methyliminomethyl)pent-3-en-2-one
CID 162541241
3-Methylaminomethylene-pentane-2,4-dione
CID 135524364
Ckcvjcbjriyydz-uhfffaoysa-
CID 136142389
4,5-dimethyl-2H-pyridin-3-one
CID 89166537
(E)-3-methyl-5-methyliminopent-3-en-2-one
CID 123514111
3-(Methyliminomethyl)pent-3-en-2-one
CID 123831882
(Z)-4-methyl-3-(methyliminomethyl)hex-3-en-2-one
CID 138498265
(Z)-3-(methyliminomethyl)pent-3-en-2-one
CID 144226481
4-Methyl-3-(methyliminomethyl)pent-3-en-2-one
CID 147133695
5-Methyl-4-(methyliminomethyl)hex-4-en-3-one
CID 155692125

Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one?
The IUPAC name of (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one (CID 123603119) is (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one.
What is the SMILES notation for (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one?
The canonical SMILES for (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one is C/N=C/C(F)=C(\C)C(C)=O.
What is the InChIKey of (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one?
The InChIKey is SOUBMMVPMDEEEM-YQDRFQIPSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5(6(2)10)7(8)4-9-3/h4H,1-3H3/b7-5-,9-4+.
What are the key properties of (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one?
(Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one has a molecular weight of 143.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-3-methyl-5-methyliminopent-3-en-2-one is sourced from PubChem (CID 123603119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).