3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole

C11H17N — CID 58125067

IUPAC3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC1=C2CCC(C(C)C)C2=NC1
InChIInChI=1S/C11H17N/c1-7(2)9-4-5-10-8(3)6-12-11(9)10/h7,9H,4-6H2,1-3H3
InChIKeyPVAMJTIXRDLJAW-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds1

About 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole

3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 58125067) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID58125067
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC1=C2CCC(C(C)C)C2=NC1
InChIInChI=1S/C11H17N/c1-7(2)9-4-5-10-8(3)6-12-11(9)10/h7,9H,4-6H2,1-3H3
InChIKeyPVAMJTIXRDLJAW-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
CID 118344825
5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole
CID 118344870
3,5-dimethyl-4-(2-methylpropyl)-2H-pyrrole
CID 118424970
N,2-dimethyl-1-(2-methylcyclopenten-1-yl)butan-1-imine
CID 139315441
4-tert-butyl-3-methyl-5-(2-methylpropyl)-2H-pyrrole
CID 147509642
3,5-dimethyl-4-(3-methylbutyl)-2H-pyrrole
CID 147576329
2-Methyl-3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 155421044
3-cyclopentyl-5-propan-2-yl-2H-pyrrole
CID 157977692
5-heptan-4-yl-3-methyl-4-propan-2-yl-2H-pyrrole
CID 171505836
3,5-dimethyl-4-(3-methylbutan-2-yl)-2H-pyrrole
CID 158383287
5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole
CID 158462023
6-Methyl-3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 167675655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 58125067) is 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole is CC1=C2CCC(C(C)C)C2=NC1.
What is the InChIKey of 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is PVAMJTIXRDLJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-7(2)9-4-5-10-8(3)6-12-11(9)10/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 58125067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).