ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide

C9H13N3O — CID 163220857

IUPACethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide
SMILESC=C.C=Cc1nc(NC=O)cn1C
InChIInChI=1S/C7H9N3O.C2H4/c1-3-7-9-6(8-5-11)4-10(7)2;1-2/h3-5H,1H2,2H3,(H,8,11);1-2H2
InChIKeyNRHCGBRESSRAAQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.43
Rot. Bonds3

About ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide

ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide (PubChem CID 163220857) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide.

Molecular Properties

Compound Nameethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide
PubChem CID163220857
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Nameethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide
SMILESC=C.C=Cc1nc(NC=O)cn1C
InChIInChI=1S/C7H9N3O.C2H4/c1-3-7-9-6(8-5-11)4-10(7)2;1-2/h3-5H,1H2,2H3,(H,8,11);1-2H2
InChIKeyNRHCGBRESSRAAQ-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-dimethylimidazol-4-yl)formamide
CID 168980267
tert-butyl N-[2-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-yl]carbamate
CID 143109523
N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide
CID 156823876
2-(dimethylamino)ethyl-[4-[[4-[(4-formamido-1-methylimidazole-2-carbonyl)amino]-1-methylimidazole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]azanium
CID 102212881
methyl 3-[(4-formamido-1-methylimidazole-2-carbonyl)amino]propanoate;propan-1-amine
CID 156823675
N-(5-ethenyl-2-pyridinyl)formamide
CID 87078462
N-(1-aminoimidazol-4-yl)formamide
CID 174485647
N-[6-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]formamide
CID 154686285
N-(1-piperidin-1-ylpyrazol-3-yl)formamide
CID 174709538
N-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]formamide
CID 166160342
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
N-[3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
CID 167188310

Frequently Asked Questions

What is the IUPAC name of ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide?
The IUPAC name of ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide (CID 163220857) is ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide.
What is the SMILES notation for ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide?
The canonical SMILES for ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide is C=C.C=Cc1nc(NC=O)cn1C.
What is the InChIKey of ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide?
The InChIKey is NRHCGBRESSRAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H4/c1-3-7-9-6(8-5-11)4-10(7)2;1-2/h3-5H,1H2,2H3,(H,8,11);1-2H2.
What are the key properties of ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide?
ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide has a molecular weight of 179.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide is sourced from PubChem (CID 163220857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).