6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one

C15H16O — CID 178126148

IUPAC6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one
SMILESCC1Cc2cc3c(cc2C1=O)C1CCC3C1
InChIInChI=1S/C15H16O/c1-8-4-11-6-12-9-2-3-10(5-9)13(12)7-14(11)15(8)16/h6-10H,2-5H2,1H3
InChIKeyKUVIRWFDQNPQJB-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.43
Rot. Bonds

About 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one

6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one (PubChem CID 178126148) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one.

Molecular Properties

Compound Name6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one
PubChem CID178126148
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one
SMILESCC1Cc2cc3c(cc2C1=O)C1CCC3C1
InChIInChI=1S/C15H16O/c1-8-4-11-6-12-9-2-3-10(5-9)13(12)7-14(11)15(8)16/h6-10H,2-5H2,1H3
InChIKeyKUVIRWFDQNPQJB-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397
(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
CID 124630134
2-methyl-3-oxo-1,2-dihydroindene-5-sulfinate
CID 123699882
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 169128153
ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
CID 11357149
2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate
CID 6922959
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984515
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-diamine
CID 129405648

Frequently Asked Questions

What is the IUPAC name of 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one?
The IUPAC name of 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one (CID 178126148) is 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one.
What is the SMILES notation for 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one?
The canonical SMILES for 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one is CC1Cc2cc3c(cc2C1=O)C1CCC3C1.
What is the InChIKey of 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one?
The InChIKey is KUVIRWFDQNPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-8-4-11-6-12-9-2-3-10(5-9)13(12)7-14(11)15(8)16/h6-10H,2-5H2,1H3.
What are the key properties of 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one?
6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one has a molecular weight of 212.29 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one is sourced from PubChem (CID 178126148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).