1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene

C11H18 — CID 143378250

IUPAC1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene
SMILESCC1C2CCC3CCCCC312
InChIInChI=1S/C11H18/c1-8-10-6-5-9-4-2-3-7-11(8,9)10/h8-10H,2-7H2,1H3
InChIKeyKNZTVKMVLVCOTQ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene

1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene (PubChem CID 143378250) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene.

Molecular Properties

Compound Name1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene
PubChem CID143378250
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene
SMILESCC1C2CCC3CCCCC312
InChIInChI=1S/C11H18/c1-8-10-6-5-9-4-2-3-7-11(8,9)10/h8-10H,2-7H2,1H3
InChIKeyKNZTVKMVLVCOTQ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 67848050
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
CID 173089072
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
CID 83980314
4a,6',8-trimethylspiro[1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene-7,5'-cyclohexa-1,3-diene]
CID 142981651
1,1-di(cyclooctyl)cyclooctane
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene?
The IUPAC name of 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene (CID 143378250) is 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene.
What is the SMILES notation for 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene?
The canonical SMILES for 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene is CC1C2CCC3CCCCC312.
What is the InChIKey of 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene?
The InChIKey is KNZTVKMVLVCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8-10-6-5-9-4-2-3-7-11(8,9)10/h8-10H,2-7H2,1H3.
What are the key properties of 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene?
1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene has a molecular weight of 150.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1a,2,3,3a,4,5,6,7-octahydro-1H-cyclopropa[i]indene is sourced from PubChem (CID 143378250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).