(5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one

C11H11ClO2 — CID 143997242

IUPAC(5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)cc(CCl)/c1=C/C
InChIInChI=1S/C11H11ClO2/c1-3-5-10-9(4-2)8(7-12)6-11(13)14-10/h3-6H,1,7H2,2H3/b9-4-,10-5+
InChIKeyYMRHXEJQDOUXOU-DHPVUTNOSA-N
MW210.66 g/mol
LogP1.15
Rot. Bonds2

About (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one

(5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one (PubChem CID 143997242) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one.

Molecular Properties

Compound Name(5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one
PubChem CID143997242
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)cc(CCl)/c1=C/C
InChIInChI=1S/C11H11ClO2/c1-3-5-10-9(4-2)8(7-12)6-11(13)14-10/h3-6H,1,7H2,2H3/b9-4-,10-5+
InChIKeyYMRHXEJQDOUXOU-DHPVUTNOSA-N
XLogP1.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-Chloroethyl)-4-methylpyran-2-one
CID 54511895
4-Methyl-6-(2-methylprop-2-enyl)pyran-2-one
CID 134919135
6-(3-Chloropropyl)-5-(3-oxobutyl)pyran-2-one
CID 164684037
6-(3-Chloropropyl)-5-prop-2-enylpyran-2-one
CID 164687109
6-(3-Chloropropyl)pyran-2-one
CID 10986753
6-(Chloromethyl)-3,4-dimethylpyran-2-one
CID 13938708
4-(3-Chloropropyl)-5,6-dipropylpyran-2-one
CID 15892813
3-(Chloromethyl)-4,6-dimethylpyran-2-one
CID 53634960
5,6-Di(ethylidene)-4-methylpyran-2-one
CID 123325417
6-[(Z)-5-chloropent-1-enyl]-5-ethyl-3-methylpyran-2-one
CID 129041858
(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one
CID 130271313
(5Z,6E)-6-ethylidene-4-methyl-5-prop-2-enylidenepyran-2-one
CID 141964155

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
The IUPAC name of (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one (CID 143997242) is (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one.
What is the SMILES notation for (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
The canonical SMILES for (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one is C=C/C=c1/oc(=O)cc(CCl)/c1=C/C.
What is the InChIKey of (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
The InChIKey is YMRHXEJQDOUXOU-DHPVUTNOSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-3-5-10-9(4-2)8(7-12)6-11(13)14-10/h3-6H,1,7H2,2H3/b9-4-,10-5+.
What are the key properties of (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
(5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-4-(chloromethyl)-5-ethylidene-6-prop-2-enylidenepyran-2-one is sourced from PubChem (CID 143997242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).