5-butyl-1-methyl-2,3-dihydropyrrole

C9H17N — CID 18179222

IUPAC5-butyl-1-methyl-2,3-dihydropyrrole
SMILESCCCCC1=CCCN1C
InChIInChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h7H,3-6,8H2,1-2H3
InChIKeyGZXRSFNATVSNRV-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds3

About 5-butyl-1-methyl-2,3-dihydropyrrole

5-butyl-1-methyl-2,3-dihydropyrrole (PubChem CID 18179222) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5-butyl-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-butyl-1-methyl-2,3-dihydropyrrole
PubChem CID18179222
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5-butyl-1-methyl-2,3-dihydropyrrole
SMILESCCCCC1=CCCN1C
InChIInChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h7H,3-6,8H2,1-2H3
InChIKeyGZXRSFNATVSNRV-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-butyl-1-methyl-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 5-butyl-1-methyl-2,3-dihydropyrrole (CID 18179222) is 5-butyl-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 5-butyl-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 5-butyl-1-methyl-2,3-dihydropyrrole is CCCCC1=CCCN1C.
What is the InChIKey of 5-butyl-1-methyl-2,3-dihydropyrrole?
The InChIKey is GZXRSFNATVSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-butyl-1-methyl-2,3-dihydropyrrole?
5-butyl-1-methyl-2,3-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 18179222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).