(Z)-pyrrol-2-ylidenemethanolate

C5H4NO- — CID 19023023

IUPAC(Z)-pyrrol-2-ylidenemethanolate
SMILES[O-]/C=C1/C=CC=N1
InChIInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,7H/p-1/b5-4-
InChIKeyXJBGOPAMLJWKCZ-PLNGDYQASA-M
MW94.09 g/mol
LogP-0.17
Rot. Bonds

About (Z)-pyrrol-2-ylidenemethanolate

(Z)-pyrrol-2-ylidenemethanolate (PubChem CID 19023023) has the molecular formula C5H4NO- and a molecular weight of 94.09 g/mol. Its IUPAC name is (Z)-pyrrol-2-ylidenemethanolate.

Molecular Properties

Compound Name(Z)-pyrrol-2-ylidenemethanolate
PubChem CID19023023
Molecular FormulaC5H4NO-
Molecular Weight94.09 g/mol
Exact Mass94.03
IUPAC Name(Z)-pyrrol-2-ylidenemethanolate
SMILES[O-]/C=C1/C=CC=N1
InChIInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,7H/p-1/b5-4-
InChIKeyXJBGOPAMLJWKCZ-PLNGDYQASA-M
XLogP-0.17
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.09
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Azafulvene
CID 66958297
Pyrrol-2-ylidenemethanolate
CID 73509103
(E)-pyrrol-2-ylidenemethanolate
CID 134856700
trifluoro-[(Z)-pyrrol-2-ylidenemethoxy]boranuide
CID 168329150
(E)-pyrrol-1-ium-2-ylidenemethanol
CID 57834907
CID 69187502
CID 69187502
(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol
CID 142213815
Potassium 1-pyrrol-2-ylideneethanolate
CID 101202740
1-Pyrrol-2-ylideneethanolate
CID 101455048
CID 132563427
CID 132563427

Frequently Asked Questions

What is the IUPAC name of (Z)-pyrrol-2-ylidenemethanolate?
The IUPAC name of (Z)-pyrrol-2-ylidenemethanolate (CID 19023023) is (Z)-pyrrol-2-ylidenemethanolate.
What is the SMILES notation for (Z)-pyrrol-2-ylidenemethanolate?
The canonical SMILES for (Z)-pyrrol-2-ylidenemethanolate is [O-]/C=C1/C=CC=N1.
What is the InChIKey of (Z)-pyrrol-2-ylidenemethanolate?
The InChIKey is XJBGOPAMLJWKCZ-PLNGDYQASA-M. The full InChI is InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,7H/p-1/b5-4-.
What are the key properties of (Z)-pyrrol-2-ylidenemethanolate?
(Z)-pyrrol-2-ylidenemethanolate has a molecular weight of 94.09 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pyrrol-2-ylidenemethanolate is sourced from PubChem (CID 19023023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).