3H-pyrrole

C4H5N — CID 6857513

IUPAC3H-pyrrole
SMILESC1=CN=CC1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1,3-4H,2H2
InChIKeyVXIKDBJPBRMXBP-UHFFFAOYSA-N
MW67.09 g/mol
LogP0.97
Rot. Bonds

About 3H-pyrrole

3H-pyrrole (PubChem CID 6857513) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 3H-pyrrole.

Molecular Properties

Compound Name3H-pyrrole
PubChem CID6857513
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name3H-pyrrole
SMILESC1=CN=CC1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1,3-4H,2H2
InChIKeyVXIKDBJPBRMXBP-UHFFFAOYSA-N
XLogP0.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3H-pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Dihydropyridine
CID 14550603
3-Methylidene-3H-pyrrole
CID 53789044
(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
4,5-dihydro-3H-azepine
CID 57772558
5-fluoro-3H-pyrrole
CID 67893608
3-Fluoro-3,4-dihydropyridine
CID 143973155
4-Fluoro-3,4-dihydropyridine
CID 150793545
2-fluoro-3H-pyrrole
CID 159036893
3h-pyrrole N-oxide
CID 129866051
4-fluoro-3H-pyrrole
CID 157991253
3-methyl-3H-pyrrole
CID 10953038
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrole?
The IUPAC name of 3H-pyrrole (CID 6857513) is 3H-pyrrole.
What is the SMILES notation for 3H-pyrrole?
The canonical SMILES for 3H-pyrrole is C1=CN=CC1.
What is the InChIKey of 3H-pyrrole?
The InChIKey is VXIKDBJPBRMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3-4H,2H2.
What are the key properties of 3H-pyrrole?
3H-pyrrole has a molecular weight of 67.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrole is sourced from PubChem (CID 6857513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).