3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole

C10H15N — CID 88981468

IUPAC3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole
SMILESCC(C)C1=NC=C2CCCC21
InChIInChI=1S/C10H15N/c1-7(2)10-9-5-3-4-8(9)6-11-10/h6-7,9H,3-5H2,1-2H3
InChIKeyDWSUMZJDBMOXKI-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.78
Rot. Bonds1

About 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole

3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole (PubChem CID 88981468) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole
PubChem CID88981468
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole
SMILESCC(C)C1=NC=C2CCCC21
InChIInChI=1S/C10H15N/c1-7(2)10-9-5-3-4-8(9)6-11-10/h6-7,9H,3-5H2,1-2H3
InChIKeyDWSUMZJDBMOXKI-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole (CID 88981468) is 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole is CC(C)C1=NC=C2CCCC21.
What is the InChIKey of 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The InChIKey is DWSUMZJDBMOXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)10-9-5-3-4-8(9)6-11-10/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole?
3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 88981468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).