2-methyl-3-pentyl-1H-pyrrole

C10H17N — CID 3082128

IUPAC2-methyl-3-pentyl-1H-pyrrole
SMILESCCCCCc1cc[nH]c1C
InChIInChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8,11H,3-6H2,1-2H3
InChIKeyPEWCJTLDYTZPGN-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-3-pentyl-1H-pyrrole

2-methyl-3-pentyl-1H-pyrrole (PubChem CID 3082128) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-methyl-3-pentyl-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-pentyl-1H-pyrrole
PubChem CID3082128
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-methyl-3-pentyl-1H-pyrrole
SMILESCCCCCc1cc[nH]c1C
InChIInChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8,11H,3-6H2,1-2H3
InChIKeyPEWCJTLDYTZPGN-UHFFFAOYSA-N
XLogP3.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentyl-1H-pyrrole?
The IUPAC name of 2-methyl-3-pentyl-1H-pyrrole (CID 3082128) is 2-methyl-3-pentyl-1H-pyrrole.
What is the SMILES notation for 2-methyl-3-pentyl-1H-pyrrole?
The canonical SMILES for 2-methyl-3-pentyl-1H-pyrrole is CCCCCc1cc[nH]c1C.
What is the InChIKey of 2-methyl-3-pentyl-1H-pyrrole?
The InChIKey is PEWCJTLDYTZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-pentyl-1H-pyrrole?
2-methyl-3-pentyl-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentyl-1H-pyrrole is sourced from PubChem (CID 3082128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).