3-prop-1-enylidenepyrrole

C7H7N — CID 163642247

IUPAC3-prop-1-enylidenepyrrole
SMILESCC=C=C1C=CN=C1
InChIInChI=1S/C7H7N/c1-2-3-7-4-5-8-6-7/h2,4-6H,1H3
InChIKeyIFGKTDIAUSQQCU-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.69
Rot. Bonds

About 3-prop-1-enylidenepyrrole

3-prop-1-enylidenepyrrole (PubChem CID 163642247) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 3-prop-1-enylidenepyrrole.

Molecular Properties

Compound Name3-prop-1-enylidenepyrrole
PubChem CID163642247
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name3-prop-1-enylidenepyrrole
SMILESCC=C=C1C=CN=C1
InChIInChI=1S/C7H7N/c1-2-3-7-4-5-8-6-7/h2,4-6H,1H3
InChIKeyIFGKTDIAUSQQCU-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylidene-3H-pyrrole
CID 53789044
3,3'-Bipyrrole
CID 70015710
Ethylidene 3h pyrrol
CID 129814507
3-Fluoro-3-methylpyrrole
CID 154640931
3,3-Dimethylpyrrole
CID 18759231
3-ethenyl-4H-pyridin-4-ide;yttrium
CID 59645391
3,4-Dimethylidenepyridine
CID 59931163
potassium 3-ethenyl-4H-pyridin-4-ide
CID 59939671
N-ethenyl-2-methylidenebutan-1-imine
CID 88966217
N-ethenyl-2-methylidenebut-3-en-1-imine
CID 91316553
3-Methyl-4-methylidenepyrrole
CID 101699850
N-but-1-enyl-2-methylprop-2-en-1-imine
CID 123169467

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enylidenepyrrole?
The IUPAC name of 3-prop-1-enylidenepyrrole (CID 163642247) is 3-prop-1-enylidenepyrrole.
What is the SMILES notation for 3-prop-1-enylidenepyrrole?
The canonical SMILES for 3-prop-1-enylidenepyrrole is CC=C=C1C=CN=C1.
What is the InChIKey of 3-prop-1-enylidenepyrrole?
The InChIKey is IFGKTDIAUSQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-2-3-7-4-5-8-6-7/h2,4-6H,1H3.
What are the key properties of 3-prop-1-enylidenepyrrole?
3-prop-1-enylidenepyrrole has a molecular weight of 105.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylidenepyrrole is sourced from PubChem (CID 163642247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).