8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one

C10H13ClO — CID 10261811

IUPAC8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
SMILESC=C1C(=O)C2(C)CCCC1C2Cl
InChIInChI=1S/C10H13ClO/c1-6-7-4-3-5-10(2,8(7)11)9(6)12/h7-8H,1,3-5H2,2H3
InChIKeyARZADPKNCZMHPX-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.54
Rot. Bonds

About 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one

8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one (PubChem CID 10261811) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
PubChem CID10261811
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
SMILESC=C1C(=O)C2(C)CCCC1C2Cl
InChIInChI=1S/C10H13ClO/c1-6-7-4-3-5-10(2,8(7)11)9(6)12/h7-8H,1,3-5H2,2H3
InChIKeyARZADPKNCZMHPX-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
The IUPAC name of 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one (CID 10261811) is 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
The canonical SMILES for 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one is C=C1C(=O)C2(C)CCCC1C2Cl.
What is the InChIKey of 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
The InChIKey is ARZADPKNCZMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-6-7-4-3-5-10(2,8(7)11)9(6)12/h7-8H,1,3-5H2,2H3.
What are the key properties of 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one has a molecular weight of 184.67 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 10261811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).