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

C11H9ClO — CID 82277867

IUPAC5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
SMILESC=C1CCc2c(Cl)cccc2C1=O
InChIInChI=1S/C11H9ClO/c1-7-5-6-8-9(11(7)13)3-2-4-10(8)12/h2-4H,1,5-6H2
InChIKeyCCKQFXKAFZYMBD-UHFFFAOYSA-N
MW192.65 g/mol
LogP3.03
Rot. Bonds

About 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one

5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one (PubChem CID 82277867) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
PubChem CID82277867
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
SMILESC=C1CCc2c(Cl)cccc2C1=O
InChIInChI=1S/C11H9ClO/c1-7-5-6-8-9(11(7)13)3-2-4-10(8)12/h2-4H,1,5-6H2
InChIKeyCCKQFXKAFZYMBD-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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Related Compounds

sodium 12-chloro-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylate
CID 90678871
6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
CID 84619132
2-(5-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetaldehyde
CID 54021692
1,5-dichloro-10-methylideneanthracen-9-one
CID 13129777
5-chloro-2,2-bis(hydroxymethyl)-3,4-dihydronaphthalen-1-one
CID 135016021
1-chloro-10-methylideneanthracen-9-one
CID 154097913
5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057864
4-chloro-2-[(4-chlorophenyl)methylidene]-3H-inden-1-one
CID 175440685
1-methylidene-2,3-dihydroinden-4-amine
CID 143813734
1,4-dichloro-5-(methylamino)-10H-anthracen-9-one
CID 139259834
6-chloro-4,5-dihydrobenzo[g][1]benzothiol-1-ium-1-carboxylic acid
CID 172686874
5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115011001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
The IUPAC name of 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one (CID 82277867) is 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one is C=C1CCc2c(Cl)cccc2C1=O.
What is the InChIKey of 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
The InChIKey is CCKQFXKAFZYMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c1-7-5-6-8-9(11(7)13)3-2-4-10(8)12/h2-4H,1,5-6H2.
What are the key properties of 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one?
5-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 5-chloro-2-methylidene-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 82277867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).