methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate

C10H13ClO3 — CID 12807756

IUPACmethyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
SMILESCOC(=O)/C=C/C1C(C(=O)Cl)C1(C)C
InChIInChI=1S/C10H13ClO3/c1-10(2)6(8(10)9(11)13)4-5-7(12)14-3/h4-6,8H,1-3H3/b5-4+
InChIKeyGHFNRPGEQRNROJ-SNAWJCMRSA-N
MW216.66 g/mol
LogP1.75
Rot. Bonds3

About methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate

methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate (PubChem CID 12807756) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
PubChem CID12807756
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Namemethyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
SMILESCOC(=O)/C=C/C1C(C(=O)Cl)C1(C)C
InChIInChI=1S/C10H13ClO3/c1-10(2)6(8(10)9(11)13)4-5-7(12)14-3/h4-6,8H,1-3H3/b5-4+
InChIKeyGHFNRPGEQRNROJ-SNAWJCMRSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate (CID 12807756) is methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate is COC(=O)/C=C/C1C(C(=O)Cl)C1(C)C.
What is the InChIKey of methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate?
The InChIKey is GHFNRPGEQRNROJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-10(2)6(8(10)9(11)13)4-5-7(12)14-3/h4-6,8H,1-3H3/b5-4+.
What are the key properties of methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate?
methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate has a molecular weight of 216.66 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 12807756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).