2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole

C9H17N — CID 123483009

IUPAC2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole
SMILESCCCC1=C(C)CNC1C
InChIInChI=1S/C9H17N/c1-4-5-9-7(2)6-10-8(9)3/h8,10H,4-6H2,1-3H3
InChIKeyCRKHLGGABKXVEW-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole

2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole (PubChem CID 123483009) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole
PubChem CID123483009
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole
SMILESCCCC1=C(C)CNC1C
InChIInChI=1S/C9H17N/c1-4-5-9-7(2)6-10-8(9)3/h8,10H,4-6H2,1-3H3
InChIKeyCRKHLGGABKXVEW-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole (CID 123483009) is 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole is CCCC1=C(C)CNC1C.
What is the InChIKey of 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole?
The InChIKey is CRKHLGGABKXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-9-7(2)6-10-8(9)3/h8,10H,4-6H2,1-3H3.
What are the key properties of 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole?
2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 123483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).