5-heptan-4-yl-3,4-dihydro-2H-pyrrole

C11H21N — CID 15434209

IUPAC5-heptan-4-yl-3,4-dihydro-2H-pyrrole
SMILESCCCC(CCC)C1=NCCC1
InChIInChI=1S/C11H21N/c1-3-6-10(7-4-2)11-8-5-9-12-11/h10H,3-9H2,1-2H3
InChIKeyVIYSORNVHMSSPN-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.44
Rot. Bonds5

About 5-heptan-4-yl-3,4-dihydro-2H-pyrrole

5-heptan-4-yl-3,4-dihydro-2H-pyrrole (PubChem CID 15434209) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-heptan-4-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-heptan-4-yl-3,4-dihydro-2H-pyrrole
PubChem CID15434209
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-heptan-4-yl-3,4-dihydro-2H-pyrrole
SMILESCCCC(CCC)C1=NCCC1
InChIInChI=1S/C11H21N/c1-3-6-10(7-4-2)11-8-5-9-12-11/h10H,3-9H2,1-2H3
InChIKeyVIYSORNVHMSSPN-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-heptan-4-yl-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-heptan-4-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-heptan-4-yl-3,4-dihydro-2H-pyrrole (CID 15434209) is 5-heptan-4-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-heptan-4-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-heptan-4-yl-3,4-dihydro-2H-pyrrole is CCCC(CCC)C1=NCCC1.
What is the InChIKey of 5-heptan-4-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is VIYSORNVHMSSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-6-10(7-4-2)11-8-5-9-12-11/h10H,3-9H2,1-2H3.
What are the key properties of 5-heptan-4-yl-3,4-dihydro-2H-pyrrole?
5-heptan-4-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 167.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15434209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).