1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one

C11H8O — CID 86001889

IUPAC1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
SMILESC=C1C2C(=O)c3ccccc3C12
InChIInChI=1S/C11H8O/c1-6-9-7-4-2-3-5-8(7)11(12)10(6)9/h2-5,9-10H,1H2
InChIKeyBJCJDSOULRFUOM-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.15
Rot. Bonds

About 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one

1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one (PubChem CID 86001889) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one.

Molecular Properties

Compound Name1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
PubChem CID86001889
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Name1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
SMILESC=C1C2C(=O)c3ccccc3C12
InChIInChI=1S/C11H8O/c1-6-9-7-4-2-3-5-8(7)11(12)10(6)9/h2-5,9-10H,1H2
InChIKeyBJCJDSOULRFUOM-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
CID 53475427
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
CID 155678093
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 10534997
1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
CID 102345002
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263
2-methoxy-3-phenyl-2,3-dihydroinden-1-one
CID 21322030
(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
CID 98115763
N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
CID 14638800
2-hydroxyindene-1,3-dione
CID 10219583
2a,8b-dihydro-2H-cyclobuta[a]naphthalene-1,3,4-trione
CID 102478924

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one?
The IUPAC name of 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one (CID 86001889) is 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one.
What is the SMILES notation for 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one?
The canonical SMILES for 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one is C=C1C2C(=O)c3ccccc3C12.
What is the InChIKey of 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one?
The InChIKey is BJCJDSOULRFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c1-6-9-7-4-2-3-5-8(7)11(12)10(6)9/h2-5,9-10H,1H2.
What are the key properties of 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one?
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one has a molecular weight of 156.18 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one is sourced from PubChem (CID 86001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).