pyrrol-2-ylidenemethylideneazanide

C5H3N2- — CID 102198438

IUPACpyrrol-2-ylidenemethylideneazanide
SMILES[N-]=C=C1C=CC=N1
InChIInChI=1S/C5H3N2/c6-4-5-2-1-3-7-5/h1-3H/q-1
InChIKeyKAYBRENBCBTURV-UHFFFAOYSA-N
MW91.09 g/mol
LogP0.75
Rot. Bonds

About pyrrol-2-ylidenemethylideneazanide

pyrrol-2-ylidenemethylideneazanide (PubChem CID 102198438) has the molecular formula C5H3N2- and a molecular weight of 91.09 g/mol. Its IUPAC name is pyrrol-2-ylidenemethylideneazanide.

Molecular Properties

Compound Namepyrrol-2-ylidenemethylideneazanide
PubChem CID102198438
Molecular FormulaC5H3N2-
Molecular Weight91.09 g/mol
Exact Mass91.03
IUPAC Namepyrrol-2-ylidenemethylideneazanide
SMILES[N-]=C=C1C=CC=N1
InChIInChI=1S/C5H3N2/c6-4-5-2-1-3-7-5/h1-3H/q-1
InChIKeyKAYBRENBCBTURV-UHFFFAOYSA-N
XLogP0.75
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Azafulvene
CID 66958297
2,2'-Bipyrrolylidene
CID 24766972
2-Methylideneazepine
CID 91214384
2-Ethenylidenepyrrole
CID 15272976
2-Ethylidenepyrrole
CID 54219721
2-Pyrrol-2-ylideneacetonitrile
CID 57084954
2-ethenyl-3H-pyridin-3-ide;yttrium
CID 59645397
potassium 3H-pyridin-3-id-2-ylmethylideneazanide
CID 59811184
potassium 2-ethenyl-3H-pyridin-3-ide
CID 59811187
potassium N-(2H-pyridin-2-id-3-yl)methanimine
CID 59811188
N-(2H-pyridin-2-id-3-yl)methanimine;yttrium
CID 59857375
2-Pyrrol-2-ylidenepropanedinitrile
CID 87917113

Frequently Asked Questions

What is the IUPAC name of pyrrol-2-ylidenemethylideneazanide?
The IUPAC name of pyrrol-2-ylidenemethylideneazanide (CID 102198438) is pyrrol-2-ylidenemethylideneazanide.
What is the SMILES notation for pyrrol-2-ylidenemethylideneazanide?
The canonical SMILES for pyrrol-2-ylidenemethylideneazanide is [N-]=C=C1C=CC=N1.
What is the InChIKey of pyrrol-2-ylidenemethylideneazanide?
The InChIKey is KAYBRENBCBTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N2/c6-4-5-2-1-3-7-5/h1-3H/q-1.
What are the key properties of pyrrol-2-ylidenemethylideneazanide?
pyrrol-2-ylidenemethylideneazanide has a molecular weight of 91.09 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-2-ylidenemethylideneazanide is sourced from PubChem (CID 102198438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).