(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one

C13H14O — CID 102399730

IUPAC(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESCC1CCC(=O)/C=C\c2ccccc21
InChIInChI=1S/C13H14O/c1-10-6-8-12(14)9-7-11-4-2-3-5-13(10)11/h2-5,7,9-10H,6,8H2,1H3/b9-7-
InChIKeyBQLFZAVSIFBZEH-CLFYSBASSA-N
MW186.25 g/mol
LogP3.17
Rot. Bonds

About (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one

(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one (PubChem CID 102399730) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one.

Molecular Properties

Compound Name(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
PubChem CID102399730
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESCC1CCC(=O)/C=C\c2ccccc21
InChIInChI=1S/C13H14O/c1-10-6-8-12(14)9-7-11-4-2-3-5-13(10)11/h2-5,7,9-10H,6,8H2,1H3/b9-7-
InChIKeyBQLFZAVSIFBZEH-CLFYSBASSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
CID 90281446
(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane
CID 144657359
(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 162529967
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium
CID 20656381
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854212
N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 102513812
1-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 153422179
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
1-methyl-2,3,3a,4-tetrahydro-1H-phenalene
CID 173375085

Frequently Asked Questions

What is the IUPAC name of (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one?
The IUPAC name of (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one (CID 102399730) is (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one.
What is the SMILES notation for (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one?
The canonical SMILES for (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one is CC1CCC(=O)/C=C\c2ccccc21.
What is the InChIKey of (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one?
The InChIKey is BQLFZAVSIFBZEH-CLFYSBASSA-N. The full InChI is InChI=1S/C13H14O/c1-10-6-8-12(14)9-7-11-4-2-3-5-13(10)11/h2-5,7,9-10H,6,8H2,1H3/b9-7-.
What are the key properties of (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one?
(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one has a molecular weight of 186.25 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one is sourced from PubChem (CID 102399730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).