3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

C13H14 — CID 142240358

IUPAC3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESCC1=CC2CC2c2ccc(C)cc21
InChIInChI=1S/C13H14/c1-8-3-4-11-12(5-8)9(2)6-10-7-13(10)11/h3-6,10,13H,7H2,1-2H3
InChIKeyFWNCLCGLDADDPK-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.52
Rot. Bonds

About 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (PubChem CID 142240358) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
PubChem CID142240358
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESCC1=CC2CC2c2ccc(C)cc21
InChIInChI=1S/C13H14/c1-8-3-4-11-12(5-8)9(2)6-10-7-13(10)11/h3-6,10,13H,7H2,1-2H3
InChIKeyFWNCLCGLDADDPK-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-bromocyclopropyl)-2,4-dimethylbenzene
CID 130539902
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 144612902
(3S)-3,6-dimethyl-3H-inden-1-ol
CID 130220220
(1R)-2,4-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 170098085
(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
CID 59083233
(3R,4aR,10bR)-3-hydroxy-8-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-6-one
CID 167593010
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
3,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 23008934
2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile
CID 116836914
3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
CID 143462508

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (CID 142240358) is 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is CC1=CC2CC2c2ccc(C)cc21.
What is the InChIKey of 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The InChIKey is FWNCLCGLDADDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-8-3-4-11-12(5-8)9(2)6-10-7-13(10)11/h3-6,10,13H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 142240358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).