ethane;2-methyl-3a,7a-dihydro-3H-indole

C11H17N — CID 91173425

IUPACethane;2-methyl-3a,7a-dihydro-3H-indole
SMILESCC.CC1=NC2C=CC=CC2C1
InChIInChI=1S/C9H11N.C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2/h2-5,8-9H,6H2,1H3;1-2H3
InChIKeyIOXNKAMHYMYGBP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds

About ethane;2-methyl-3a,7a-dihydro-3H-indole

ethane;2-methyl-3a,7a-dihydro-3H-indole (PubChem CID 91173425) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;2-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Nameethane;2-methyl-3a,7a-dihydro-3H-indole
PubChem CID91173425
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;2-methyl-3a,7a-dihydro-3H-indole
SMILESCC.CC1=NC2C=CC=CC2C1
InChIInChI=1S/C9H11N.C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2/h2-5,8-9H,6H2,1H3;1-2H3
InChIKeyIOXNKAMHYMYGBP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
CID 6445873
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
3-Ethyl-10-fluoro-2-azabicyclo[5.4.1]dodeca-2,4,8,10-tetraene
CID 146580857
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
CID 20634344
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
3,3a,4,7-tetrahydro-2H-indole
CID 54297230

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of ethane;2-methyl-3a,7a-dihydro-3H-indole (CID 91173425) is ethane;2-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for ethane;2-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for ethane;2-methyl-3a,7a-dihydro-3H-indole is CC.CC1=NC2C=CC=CC2C1.
What is the InChIKey of ethane;2-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is IOXNKAMHYMYGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2/h2-5,8-9H,6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3a,7a-dihydro-3H-indole?
ethane;2-methyl-3a,7a-dihydro-3H-indole has a molecular weight of 163.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 91173425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).