5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole

C10H17N — CID 175612961

IUPAC5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1CN=C(C(C)CC)C1
InChIInChI=1S/C10H17N/c1-4-8(3)10-6-9(5-2)7-11-10/h5,8-9H,2,4,6-7H2,1,3H3
InChIKeyCHBLSZGPXYYQNH-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds3

About 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole

5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole (PubChem CID 175612961) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole
PubChem CID175612961
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1CN=C(C(C)CC)C1
InChIInChI=1S/C10H17N/c1-4-8(3)10-6-9(5-2)7-11-10/h5,8-9H,2,4,6-7H2,1,3H3
InChIKeyCHBLSZGPXYYQNH-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole 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-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole (CID 175612961) is 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole is C=CC1CN=C(C(C)CC)C1.
What is the InChIKey of 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is CHBLSZGPXYYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-8(3)10-6-9(5-2)7-11-10/h5,8-9H,2,4,6-7H2,1,3H3.
What are the key properties of 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole?
5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 175612961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).