methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate

C10H13ClO2 — CID 12823785

IUPACmethyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate
SMILESCOC(=O)C(Cl)=C1C2CCCCC12
InChIInChI=1S/C10H13ClO2/c1-13-10(12)9(11)8-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
InChIKeyQRZUUWHWPOUKBN-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.47
Rot. Bonds1

About methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate

methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate (PubChem CID 12823785) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate.

Molecular Properties

Compound Namemethyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate
PubChem CID12823785
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate
SMILESCOC(=O)C(Cl)=C1C2CCCCC12
InChIInChI=1S/C10H13ClO2/c1-13-10(12)9(11)8-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
InChIKeyQRZUUWHWPOUKBN-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 12033358
CID 12033358
CID 174459451
CID 174459451
CID 10104326
CID 10104326
CID 11206071
CID 11206071
CID 11367358
CID 11367358
CID 11805248
CID 11805248
CID 11975127
CID 11975127
CID 12033362
CID 12033362
CID 13269301
CID 13269301
CID 13269302
CID 13269302
CID 71326720
CID 71326720
CID 71326722
CID 71326722

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate?
The IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate (CID 12823785) is methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate.
What is the SMILES notation for methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate?
The canonical SMILES for methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate is COC(=O)C(Cl)=C1C2CCCCC12.
What is the InChIKey of methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate?
The InChIKey is QRZUUWHWPOUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-13-10(12)9(11)8-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3.
What are the key properties of methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate?
methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate has a molecular weight of 200.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bicyclo[4.1.0]heptanylidene)-2-chloroacetate is sourced from PubChem (CID 12823785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).