[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate

C10H14N4O2 — CID 142433669

IUPAC[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate
SMILESC=NN(C)/C(=C\C)COC(=O)n1ccnc1
InChIInChI=1S/C10H14N4O2/c1-4-9(13(3)11-2)7-16-10(15)14-6-5-12-8-14/h4-6,8H,2,7H2,1,3H3/b9-4-
InChIKeyKQHJIHMDRYGEMI-WTKPLQERSA-N
MW222.25 g/mol
LogP1.32
Rot. Bonds4

About [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate

[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate (PubChem CID 142433669) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate
PubChem CID142433669
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate
SMILESC=NN(C)/C(=C\C)COC(=O)n1ccnc1
InChIInChI=1S/C10H14N4O2/c1-4-9(13(3)11-2)7-16-10(15)14-6-5-12-8-14/h4-6,8H,2,7H2,1,3H3/b9-4-
InChIKeyKQHJIHMDRYGEMI-WTKPLQERSA-N
XLogP1.32
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate
CID 156560761
2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate
CID 156560762
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
butyl imidazole-1-carboxylate
CID 12840941
(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
CID 134348666
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
CID 89467135
2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
CID 146209608
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
CID 135338878
[(2R,3S)-3-(dimethylamino)-4-oxo-4-propan-2-yloxybutan-2-yl] imidazole-1-carboxylate
CID 169043110

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate?
The IUPAC name of [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate (CID 142433669) is [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate.
What is the SMILES notation for [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate?
The canonical SMILES for [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate is C=NN(C)/C(=C\C)COC(=O)n1ccnc1.
What is the InChIKey of [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate?
The InChIKey is KQHJIHMDRYGEMI-WTKPLQERSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4-9(13(3)11-2)7-16-10(15)14-6-5-12-8-14/h4-6,8H,2,7H2,1,3H3/b9-4-.
What are the key properties of [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate?
[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate is sourced from PubChem (CID 142433669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).