6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one

C11H9ClO — CID 84619132

IUPAC6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
SMILESC=C1CCc2cc(Cl)ccc2C1=O
InChIInChI=1S/C11H9ClO/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)13/h4-6H,1-3H2
InChIKeyLBXCNSYHCFHBRA-UHFFFAOYSA-N
MW192.65 g/mol
LogP3.03
Rot. Bonds

About 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one

6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one (PubChem CID 84619132) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
PubChem CID84619132
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
SMILESC=C1CCc2cc(Cl)ccc2C1=O
InChIInChI=1S/C11H9ClO/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)13/h4-6H,1-3H2
InChIKeyLBXCNSYHCFHBRA-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
The IUPAC name of 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one (CID 84619132) is 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one is C=C1CCc2cc(Cl)ccc2C1=O.
What is the InChIKey of 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
The InChIKey is LBXCNSYHCFHBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)13/h4-6H,1-3H2.
What are the key properties of 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one has a molecular weight of 192.65 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 84619132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).