5-chloro-2-methylidene-3H-inden-1-one

C10H7ClO — CID 118714897

IUPAC5-chloro-2-methylidene-3H-inden-1-one
SMILESC=C1Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C10H7ClO/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h2-3,5H,1,4H2
InChIKeyDZZIDDGXTTVGSU-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.63
Rot. Bonds

About 5-chloro-2-methylidene-3H-inden-1-one

5-chloro-2-methylidene-3H-inden-1-one (PubChem CID 118714897) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol. Its IUPAC name is 5-chloro-2-methylidene-3H-inden-1-one.

Molecular Properties

Compound Name5-chloro-2-methylidene-3H-inden-1-one
PubChem CID118714897
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name5-chloro-2-methylidene-3H-inden-1-one
SMILESC=C1Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C10H7ClO/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h2-3,5H,1,4H2
InChIKeyDZZIDDGXTTVGSU-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.63
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

P-Chloroacetophenone
CID 7467
Clorindione
CID 70846
4'-Chloropropiophenone
CID 22697
4-Chlorochalcone
CID 5377022
(2E)-3-(3-Chlorophenyl)-1-phenyl-2-propen-1-one
CID 5377023
2,4'-Dichloroacetophenone
CID 70298
Ethanone, 1-(3,4-dichlorophenyl)-
CID 75841
1-(3-Chlorophenyl)ethanone
CID 14933
3'-Chlorochalcone
CID 639084
5-Chloro-1-indanone
CID 142599
Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-
CID 67578
3'-Chloropropiophenone
CID 587128

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylidene-3H-inden-1-one?
The IUPAC name of 5-chloro-2-methylidene-3H-inden-1-one (CID 118714897) is 5-chloro-2-methylidene-3H-inden-1-one.
What is the SMILES notation for 5-chloro-2-methylidene-3H-inden-1-one?
The canonical SMILES for 5-chloro-2-methylidene-3H-inden-1-one is C=C1Cc2cc(Cl)ccc2C1=O.
What is the InChIKey of 5-chloro-2-methylidene-3H-inden-1-one?
The InChIKey is DZZIDDGXTTVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h2-3,5H,1,4H2.
What are the key properties of 5-chloro-2-methylidene-3H-inden-1-one?
5-chloro-2-methylidene-3H-inden-1-one has a molecular weight of 178.62 g/mol, XLogP of 2.63, 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-3H-inden-1-one is sourced from PubChem (CID 118714897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).