5-pentyl-2H-pyrrole

C9H15N — CID 58270101

IUPAC5-pentyl-2H-pyrrole
SMILESCCCCCC1=NCC=C1
InChIInChI=1S/C9H15N/c1-2-3-4-6-9-7-5-8-10-9/h5,7H,2-4,6,8H2,1H3
InChIKeyHYHVOLGTNJUMTF-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds4

About 5-pentyl-2H-pyrrole

5-pentyl-2H-pyrrole (PubChem CID 58270101) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-pentyl-2H-pyrrole.

Molecular Properties

Compound Name5-pentyl-2H-pyrrole
PubChem CID58270101
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-pentyl-2H-pyrrole
SMILESCCCCCC1=NCC=C1
InChIInChI=1S/C9H15N/c1-2-3-4-6-9-7-5-8-10-9/h5,7H,2-4,6,8H2,1H3
InChIKeyHYHVOLGTNJUMTF-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
5-(6-fluorohexyl)-2H-pyrrole
CID 54509639
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 102308509
N-methylcyclohex-2-en-1-imine
CID 20718417
5-ethyl-2H-pyrrole
CID 20725724
5-ethyl-1-methyl-2H-pyrrol-1-ium
CID 20749702
5-undec-10-enyl-2H-pyrrole
CID 54135361
N-methylcyclopent-3-en-1-imine
CID 57004337

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2H-pyrrole?
The IUPAC name of 5-pentyl-2H-pyrrole (CID 58270101) is 5-pentyl-2H-pyrrole.
What is the SMILES notation for 5-pentyl-2H-pyrrole?
The canonical SMILES for 5-pentyl-2H-pyrrole is CCCCCC1=NCC=C1.
What is the InChIKey of 5-pentyl-2H-pyrrole?
The InChIKey is HYHVOLGTNJUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-6-9-7-5-8-10-9/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 5-pentyl-2H-pyrrole?
5-pentyl-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2H-pyrrole is sourced from PubChem (CID 58270101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).