(4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one

C8H8N4O2 — CID 135494002

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one
SMILESNNC1=N/C(=C\c2ccco2)C(=O)N1
InChIInChI=1S/C8H8N4O2/c9-12-8-10-6(7(13)11-8)4-5-2-1-3-14-5/h1-4H,9H2,(H2,10,11,12,13)/b6-4-
InChIKeyRKRQFFNKFZKXRK-XQRVVYSFSA-N
MW192.18 g/mol
LogP-0.43
Rot. Bonds1

About (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one (PubChem CID 135494002) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one
PubChem CID135494002
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one
SMILESNNC1=N/C(=C\c2ccco2)C(=O)N1
InChIInChI=1S/C8H8N4O2/c9-12-8-10-6(7(13)11-8)4-5-2-1-3-14-5/h1-4H,9H2,(H2,10,11,12,13)/b6-4-
InChIKeyRKRQFFNKFZKXRK-XQRVVYSFSA-N
XLogP-0.43
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-(Furan-2-ylmethylene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135454397
[(5Z)-4-chloro-5-(furan-2-ylmethylidene)imidazol-2-yl]hydrazine
CID 6519325
(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
CID 135445604
Furfurylidene aminohydantoin
CID 67668523
(4Z)-4-(furan-2-ylmethylidene)-2-methyl-1H-imidazol-5-one
CID 136265735
2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135439368
(4Z)-4-(2-furylmethylene)-2-(1-piperidyl)-1H-imidazol-5-one
CID 135493938
5-(2-Furylmethylene)-2-(4-morpholinyl)-3,5-dihydro-4H-imidazol-4-one
CID 135493956
(4Z)-4-(furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one
CID 135505223
(5E)-4-chloro-5-(2-furylmethylene)imidazol-2-one hydrazone
CID 5921913
(5E)-5-(2-furylmethylene)-3-(4-hydroxy-6-methyl-pyrimidin-2-yl)-2-methyl-imidazol-4-one
CID 137242198
(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one
CID 15210890

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one (CID 135494002) is (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one is NNC1=N/C(=C\c2ccco2)C(=O)N1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one?
The InChIKey is RKRQFFNKFZKXRK-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-12-8-10-6(7(13)11-8)4-5-2-1-3-14-5/h1-4H,9H2,(H2,10,11,12,13)/b6-4-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one has a molecular weight of 192.18 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-hydrazinyl-1H-imidazol-5-one is sourced from PubChem (CID 135494002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).