ethane;3-methyl-5,6-dihydro-1H-isoindole

C11H17N — CID 143453366

IUPACethane;3-methyl-5,6-dihydro-1H-isoindole
SMILESCC.CC1=NCC2=CCCC=C21
InChIInChI=1S/C9H11N.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h4-5H,2-3,6H2,1H3;1-2H3
InChIKeyYGWRTJVKIDPNFO-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.13
Rot. Bonds

About ethane;3-methyl-5,6-dihydro-1H-isoindole

ethane;3-methyl-5,6-dihydro-1H-isoindole (PubChem CID 143453366) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydro-1H-isoindole.

Molecular Properties

Compound Nameethane;3-methyl-5,6-dihydro-1H-isoindole
PubChem CID143453366
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;3-methyl-5,6-dihydro-1H-isoindole
SMILESCC.CC1=NCC2=CCCC=C21
InChIInChI=1S/C9H11N.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h4-5H,2-3,6H2,1H3;1-2H3
InChIKeyYGWRTJVKIDPNFO-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
2H-Indole
CID 19013146
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
Tetrahydrocyclopent(b)indole
CID 66869719
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
Tetrahydrodicyclopenta-[b,e]pyridine
CID 129776972
5-fluoro-3-methyl-2H-indole
CID 95046937
7-methyl-2H-indole
CID 13640031
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6-dihydro-1H-isoindole?
The IUPAC name of ethane;3-methyl-5,6-dihydro-1H-isoindole (CID 143453366) is ethane;3-methyl-5,6-dihydro-1H-isoindole.
What is the SMILES notation for ethane;3-methyl-5,6-dihydro-1H-isoindole?
The canonical SMILES for ethane;3-methyl-5,6-dihydro-1H-isoindole is CC.CC1=NCC2=CCCC=C21.
What is the InChIKey of ethane;3-methyl-5,6-dihydro-1H-isoindole?
The InChIKey is YGWRTJVKIDPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h4-5H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydro-1H-isoindole?
ethane;3-methyl-5,6-dihydro-1H-isoindole has a molecular weight of 163.26 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydro-1H-isoindole is sourced from PubChem (CID 143453366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).