(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one

C9H9N3O2 — CID 15210890

IUPAC(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C\c1ccco1
InChIInChI=1S/C9H9N3O2/c1-12-7(8(13)11-9(12)10)5-6-3-2-4-14-6/h2-5H,1H3,(H2,10,11,13)/b7-5+
InChIKeySDYNPYIRKMZKMM-FNORWQNLSA-N
MW191.19 g/mol
LogP0.41
Rot. Bonds1

About (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one

(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one (PubChem CID 15210890) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one
PubChem CID15210890
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C\c1ccco1
InChIInChI=1S/C9H9N3O2/c1-12-7(8(13)11-9(12)10)5-6-3-2-4-14-6/h2-5H,1H3,(H2,10,11,13)/b7-5+
InChIKeySDYNPYIRKMZKMM-FNORWQNLSA-N
XLogP0.41
TPSA71.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one
CID 1243441
5-(furan-2-ylmethylidene)-1,2,2,3-tetramethyl-1,3-diazinane-4,6-dione
CID 137477472
(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 177456796
3,5-bis(furan-2-ylmethylidene)-1-methylpiperidin-4-one
CID 717827
3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 71957879
(5Z)-5-(furan-2-ylmethylidene)-2,3-dimethyl-1-phenyl-1,2,4-triazin-6-one
CID 171977658
(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one
CID 20835396
5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 936275
(5Z)-5-(furan-2-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 2055469
(4E)-3-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,2-oxazol-5-one
CID 671181
(1S,3Z,5S,7E)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 2261789
(1R,3Z,5R)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 933207

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one?
The IUPAC name of (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one (CID 15210890) is (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one.
What is the SMILES notation for (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one?
The canonical SMILES for (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one is CN1C(N)=NC(=O)/C1=C\c1ccco1.
What is the InChIKey of (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one?
The InChIKey is SDYNPYIRKMZKMM-FNORWQNLSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12-7(8(13)11-9(12)10)5-6-3-2-4-14-6/h2-5H,1H3,(H2,10,11,13)/b7-5+.
What are the key properties of (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one?
(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one is sourced from PubChem (CID 15210890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).