6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one

C11H9ClO2 — CID 143310055

IUPAC6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one
SMILESCc1cc(=O)oc2c1=CC(Cl)=CCC=2
InChIInChI=1S/C11H9ClO2/c1-7-5-11(13)14-10-4-2-3-8(12)6-9(7)10/h3-6H,2H2,1H3
InChIKeyVWRFFCITNGSZMA-UHFFFAOYSA-N
MW208.64 g/mol
LogP1.04
Rot. Bonds

About 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one

6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one (PubChem CID 143310055) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one.

Molecular Properties

Compound Name6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one
PubChem CID143310055
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one
SMILESCc1cc(=O)oc2c1=CC(Cl)=CCC=2
InChIInChI=1S/C11H9ClO2/c1-7-5-11(13)14-10-4-2-3-8(12)6-9(7)10/h3-6H,2H2,1H3
InChIKeyVWRFFCITNGSZMA-UHFFFAOYSA-N
XLogP1.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13480869
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CID 717447
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CID 6429146
4-Ethyl-6-methylpyran-2-one
CID 13758628
6-Ethyl-4-methyl-2H-pyran-2-one
CID 13758629
4,6,8-Trimethyl-2H-cyclohepta(b)furan-2-one
CID 324821
2H-Pyran-2-one, 6-butyl-4-methyl-
CID 12271151
4-Methyl-6-propylpyran-2-one
CID 76315502
6-methyl-4-[(E)-pent-1-enyl]pyran-2-one
CID 12036014
4-methoxy-6-methyl-5-[(E)-pent-1-enyl]pyran-2-one
CID 44323512
4-Butyl-6-methylpyran-2-one
CID 44344350

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one?
The IUPAC name of 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one (CID 143310055) is 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one.
What is the SMILES notation for 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one?
The canonical SMILES for 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one is Cc1cc(=O)oc2c1=CC(Cl)=CCC=2.
What is the InChIKey of 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one?
The InChIKey is VWRFFCITNGSZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-7-5-11(13)14-10-4-2-3-8(12)6-9(7)10/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one?
6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one has a molecular weight of 208.64 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-8H-cyclohepta[b]pyran-2-one is sourced from PubChem (CID 143310055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).