3,4,5-tripropylcyclopenta[c]pyrrole

C16H23N — CID 21095884

IUPAC3,4,5-tripropylcyclopenta[c]pyrrole
SMILESCCCC1=C(CCC)C2=C(CCC)N=CC2=C1
InChIInChI=1S/C16H23N/c1-4-7-12-10-13-11-17-15(9-6-3)16(13)14(12)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyFSPYTLRISXZRMX-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.96
Rot. Bonds6

About 3,4,5-tripropylcyclopenta[c]pyrrole

3,4,5-tripropylcyclopenta[c]pyrrole (PubChem CID 21095884) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3,4,5-tripropylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name3,4,5-tripropylcyclopenta[c]pyrrole
PubChem CID21095884
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3,4,5-tripropylcyclopenta[c]pyrrole
SMILESCCCC1=C(CCC)C2=C(CCC)N=CC2=C1
InChIInChI=1S/C16H23N/c1-4-7-12-10-13-11-17-15(9-6-3)16(13)14(12)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyFSPYTLRISXZRMX-UHFFFAOYSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tripropylcyclopenta[c]pyrrole?
The IUPAC name of 3,4,5-tripropylcyclopenta[c]pyrrole (CID 21095884) is 3,4,5-tripropylcyclopenta[c]pyrrole.
What is the SMILES notation for 3,4,5-tripropylcyclopenta[c]pyrrole?
The canonical SMILES for 3,4,5-tripropylcyclopenta[c]pyrrole is CCCC1=C(CCC)C2=C(CCC)N=CC2=C1.
What is the InChIKey of 3,4,5-tripropylcyclopenta[c]pyrrole?
The InChIKey is FSPYTLRISXZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-7-12-10-13-11-17-15(9-6-3)16(13)14(12)8-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 3,4,5-tripropylcyclopenta[c]pyrrole?
3,4,5-tripropylcyclopenta[c]pyrrole has a molecular weight of 229.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tripropylcyclopenta[c]pyrrole is sourced from PubChem (CID 21095884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).