4a-methyl-7,8-dihydronaphthalen-2-one

C11H12O — CID 20713787

IUPAC4a-methyl-7,8-dihydronaphthalen-2-one
SMILESCC12C=CCCC1=CC(=O)C=C2
InChIInChI=1S/C11H12O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h3,5-8H,2,4H2,1H3
InChIKeyNZGXVPDMMGFKEZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.41
Rot. Bonds

About 4a-methyl-7,8-dihydronaphthalen-2-one

4a-methyl-7,8-dihydronaphthalen-2-one (PubChem CID 20713787) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4a-methyl-7,8-dihydronaphthalen-2-one.

Molecular Properties

Compound Name4a-methyl-7,8-dihydronaphthalen-2-one
PubChem CID20713787
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4a-methyl-7,8-dihydronaphthalen-2-one
SMILESCC12C=CCCC1=CC(=O)C=C2
InChIInChI=1S/C11H12O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h3,5-8H,2,4H2,1H3
InChIKeyNZGXVPDMMGFKEZ-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.41
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

(3aR,9aS)-2,2,3a-trimethyl-4,5-dihydro-3H-indeno[7a,1-b]furan-7-one
CID 66557190
(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 15882108
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357
(1R,9S)-9-methyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 10726400
(3aR,10aS)-3a-methyl-3,4,5,6-tetrahydro-2H-benzo[h][1]benzofuran-8-one
CID 66557184
(4aR)-4a-methyl-5,6-di(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-one
CID 59842309
(3aR,10aS)-2-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2H-benzo[h][1]benzofuran-8-one
CID 66557315
(2R,14S)-16-hydroxy-2,12,14-trimethyltetracyclo[8.6.0.02,7.011,14]hexadeca-3,6-diene-5,13-dione
CID 145003611
(1R,9S)-9,11-dimethyl-10-oxa-12-azatricyclo[7.3.2.01,6]tetradeca-2,5,11-trien-4-one
CID 102029940
(8S,9S,10R,13R,14S,16S)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 57179209
(1S,2S,10R,11S,15S,17S)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-5,14-dione
CID 125033952
8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene
CID 101316645

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-7,8-dihydronaphthalen-2-one?
The IUPAC name of 4a-methyl-7,8-dihydronaphthalen-2-one (CID 20713787) is 4a-methyl-7,8-dihydronaphthalen-2-one.
What is the SMILES notation for 4a-methyl-7,8-dihydronaphthalen-2-one?
The canonical SMILES for 4a-methyl-7,8-dihydronaphthalen-2-one is CC12C=CCCC1=CC(=O)C=C2.
What is the InChIKey of 4a-methyl-7,8-dihydronaphthalen-2-one?
The InChIKey is NZGXVPDMMGFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h3,5-8H,2,4H2,1H3.
What are the key properties of 4a-methyl-7,8-dihydronaphthalen-2-one?
4a-methyl-7,8-dihydronaphthalen-2-one has a molecular weight of 160.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-7,8-dihydronaphthalen-2-one is sourced from PubChem (CID 20713787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).