4-methylidene-2,3-dihydropyrrole

C5H7N — CID 58230854

IUPAC4-methylidene-2,3-dihydropyrrole
SMILESC=C1C=NCC1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h4H,1-3H2
InChIKeyCUHQFRPEQDKHCG-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.02
Rot. Bonds

About 4-methylidene-2,3-dihydropyrrole

4-methylidene-2,3-dihydropyrrole (PubChem CID 58230854) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 4-methylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-methylidene-2,3-dihydropyrrole
PubChem CID58230854
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name4-methylidene-2,3-dihydropyrrole
SMILESC=C1C=NCC1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h4H,1-3H2
InChIKeyCUHQFRPEQDKHCG-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,3-dihydropyrrole?
The IUPAC name of 4-methylidene-2,3-dihydropyrrole (CID 58230854) is 4-methylidene-2,3-dihydropyrrole.
What is the SMILES notation for 4-methylidene-2,3-dihydropyrrole?
The canonical SMILES for 4-methylidene-2,3-dihydropyrrole is C=C1C=NCC1.
What is the InChIKey of 4-methylidene-2,3-dihydropyrrole?
The InChIKey is CUHQFRPEQDKHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-2-3-6-4-5/h4H,1-3H2.
What are the key properties of 4-methylidene-2,3-dihydropyrrole?
4-methylidene-2,3-dihydropyrrole has a molecular weight of 81.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,3-dihydropyrrole is sourced from PubChem (CID 58230854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).