ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole

C12H23N — CID 91101310

IUPACethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC.CC.CC1=NC2=C(CCC2)C1
InChIInChI=1S/C8H11N.2C2H6/c1-6-5-7-3-2-4-8(7)9-6;2*1-2/h2-5H2,1H3;2*1-2H3
InChIKeyZVPJTZDBYBYRBH-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.34
Rot. Bonds

About ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole

ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 91101310) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Nameethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID91101310
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC.CC.CC1=NC2=C(CCC2)C1
InChIInChI=1S/C8H11N.2C2H6/c1-6-5-7-3-2-4-8(7)9-6;2*1-2/h2-5H2,1H3;2*1-2H3
InChIKeyZVPJTZDBYBYRBH-UHFFFAOYSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 91101310) is ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is CC.CC.CC1=NC2=C(CCC2)C1.
What is the InChIKey of ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is ZVPJTZDBYBYRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C2H6/c1-6-5-7-3-2-4-8(7)9-6;2*1-2/h2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 181.32 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 91101310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).