ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole

C10H19N — CID 90878321

IUPACethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC.CC1CC2C=NCC2C1
InChIInChI=1S/C8H13N.C2H6/c1-6-2-7-4-9-5-8(7)3-6;1-2/h4,6-8H,2-3,5H2,1H3;1-2H3
InChIKeyJXQBXLAIOGUEPE-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.76
Rot. Bonds

About ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole

ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 90878321) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Nameethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID90878321
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC.CC1CC2C=NCC2C1
InChIInChI=1S/C8H13N.C2H6/c1-6-2-7-4-9-5-8(7)3-6;1-2/h4,6-8H,2-3,5H2,1H3;1-2H3
InChIKeyJXQBXLAIOGUEPE-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
CID 59584722
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
acetylene;(1S,5R)-3,6-dimethylbicyclo[3.1.1]heptane;ethane
CID 143170013
(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine
CID 174033086
1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
CID 91436616
2-methyl-5-methylsulfanyl-1,2,3,3a,4,6a-hexahydropentalene
CID 155016368
3-methyl-3,4-dihydro-2H-pyrrol-4-amine
CID 57259265
ethane;1,2,4,6-tetramethylpiperidine
CID 164865353
7,12,14-trimethyltetracyclo[8.5.0.02,8.04,6]pentadecane
CID 123453838
(4S)-3,5-dimethyl-2,3,4,5-tetrahydropyridin-4-ol
CID 175988145

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (CID 90878321) is ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is CC.CC1CC2C=NCC2C1.
What is the InChIKey of ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is JXQBXLAIOGUEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-6-2-7-4-9-5-8(7)3-6;1-2/h4,6-8H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 90878321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).