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

C13H23N — CID 91466382

IUPACethane;2-methyl-3,3a-dihydro-2H-indole
SMILESCC.CC.CC1CC2C=CC=CC2=N1
InChIInChI=1S/C9H11N.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-5,7-8H,6H2,1H3;2*1-2H3
InChIKeyRNYISYVXPAZGGV-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.01
Rot. Bonds

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

ethane;2-methyl-3,3a-dihydro-2H-indole (PubChem CID 91466382) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;2-methyl-3,3a-dihydro-2H-indole.

Molecular Properties

Compound Nameethane;2-methyl-3,3a-dihydro-2H-indole
PubChem CID91466382
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;2-methyl-3,3a-dihydro-2H-indole
SMILESCC.CC.CC1CC2C=CC=CC2=N1
InChIInChI=1S/C9H11N.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-5,7-8H,6H2,1H3;2*1-2H3
InChIKeyRNYISYVXPAZGGV-UHFFFAOYSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
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Tetrahydro 3h cyclopenta[c]quinoline
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6-fluoro-3,3a,4,5-tetrahydro-2H-indole
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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
Cyclohexyl 2h benzimidazole
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3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
CID 162856210

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,3a-dihydro-2H-indole?
The IUPAC name of ethane;2-methyl-3,3a-dihydro-2H-indole (CID 91466382) is ethane;2-methyl-3,3a-dihydro-2H-indole.
What is the SMILES notation for ethane;2-methyl-3,3a-dihydro-2H-indole?
The canonical SMILES for ethane;2-methyl-3,3a-dihydro-2H-indole is CC.CC.CC1CC2C=CC=CC2=N1.
What is the InChIKey of ethane;2-methyl-3,3a-dihydro-2H-indole?
The InChIKey is RNYISYVXPAZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-5,7-8H,6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-3,3a-dihydro-2H-indole?
ethane;2-methyl-3,3a-dihydro-2H-indole has a molecular weight of 193.33 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,3a-dihydro-2H-indole is sourced from PubChem (CID 91466382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).