pyrrole

C4H3N — CID 57076056

IUPACpyrrole
SMILESC1=CC=CN=1
InChIInChI=1S/C4H3N/c1-2-4-5-3-1/h1-3H
InChIKeyTUGGKDXVYGBSSL-UHFFFAOYSA-N
MW65.08 g/mol
LogP0.74
Rot. Bonds

About pyrrole

pyrrole (PubChem CID 57076056) has the molecular formula C4H3N and a molecular weight of 65.08 g/mol. Its IUPAC name is pyrrole.

Molecular Properties

Compound Namepyrrole
PubChem CID57076056
Molecular FormulaC4H3N
Molecular Weight65.08 g/mol
Exact Mass65.03
IUPAC Namepyrrole
SMILESC1=CC=CN=1
InChIInChI=1S/C4H3N/c1-2-4-5-3-1/h1-3H
InChIKeyTUGGKDXVYGBSSL-UHFFFAOYSA-N
XLogP0.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.08
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3z)-2-Azahexa-1,3,5-triene
CID 58734606
2-Azahexa-1,3,5-triene
CID 72405812
(3e,5z)-2-Azahexa-1,3,5-triene
CID 129751294
(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene
CID 164670262
N-[(E)-prop-1-enyl]ethenimine
CID 57762723
N-prop-1-enylethenimine
CID 90970450
N-[(Z)-prop-1-enyl]buta-1,3-dien-1-imine
CID 130472250
(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene
CID 131966618
N-[(Z)-prop-1-enyl]ethenimine
CID 143648655
N-[(1E)-buta-1,3-dienyl]ethenimine
CID 159493620
N-[(1Z)-buta-1,3-dienyl]ethenimine
CID 163761426
N-[(1Z)-penta-1,3,4-trienyl]methanimine
CID 142991397

Frequently Asked Questions

What is the IUPAC name of pyrrole?
The IUPAC name of pyrrole (CID 57076056) is pyrrole.
What is the SMILES notation for pyrrole?
The canonical SMILES for pyrrole is C1=CC=CN=1.
What is the InChIKey of pyrrole?
The InChIKey is TUGGKDXVYGBSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N/c1-2-4-5-3-1/h1-3H.
What are the key properties of pyrrole?
pyrrole has a molecular weight of 65.08 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole is sourced from PubChem (CID 57076056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).