methyl 1-ethenyl-6-iminopyridine-3-carboxylate

C9H10N2O2 — CID 142237398

IUPACmethyl 1-ethenyl-6-iminopyridine-3-carboxylate
SMILES[H]/N=c1\ccc(C(=O)OC)cn1C=C
InChIInChI=1S/C9H10N2O2/c1-3-11-6-7(9(12)13-2)4-5-8(11)10/h3-6,10H,1H2,2H3/b10-8+
InChIKeyUUUCIEWWPDGPLS-CSKARUKUSA-N
MW178.19 g/mol
LogP0.85
Rot. Bonds2

About methyl 1-ethenyl-6-iminopyridine-3-carboxylate

methyl 1-ethenyl-6-iminopyridine-3-carboxylate (PubChem CID 142237398) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 1-ethenyl-6-iminopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethenyl-6-iminopyridine-3-carboxylate
PubChem CID142237398
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl 1-ethenyl-6-iminopyridine-3-carboxylate
SMILES[H]/N=c1\ccc(C(=O)OC)cn1C=C
InChIInChI=1S/C9H10N2O2/c1-3-11-6-7(9(12)13-2)4-5-8(11)10/h3-6,10H,1H2,2H3/b10-8+
InChIKeyUUUCIEWWPDGPLS-CSKARUKUSA-N
XLogP0.85
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzyl-6-iminopyridine-3-carboxylate
CID 23470923
methyl 1-methyl-6-sulfanylidenepyridine-3-carboxylate
CID 901960
methyl 1-ethanimidoyl-2-iminopyridine-4-carboxylate
CID 155134040
methyl 4-(ethenylamino)benzoate
CID 174407712
methyl 4-(4-methanimidoylphenyl)benzoate
CID 142312095
methyl 2-imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 71778926
methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate
CID 129109029
methyl 1-(1-chloroethyl)-2-iminopyridine-4-carboxylate
CID 146550218
methyl 4-(N-formylcarbamimidoyl)benzoate
CID 154314723
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
ethene;4-methoxycarbonylbenzenecarboperoxoic acid
CID 87669855

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethenyl-6-iminopyridine-3-carboxylate?
The IUPAC name of methyl 1-ethenyl-6-iminopyridine-3-carboxylate (CID 142237398) is methyl 1-ethenyl-6-iminopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-ethenyl-6-iminopyridine-3-carboxylate?
The canonical SMILES for methyl 1-ethenyl-6-iminopyridine-3-carboxylate is [H]/N=c1\ccc(C(=O)OC)cn1C=C.
What is the InChIKey of methyl 1-ethenyl-6-iminopyridine-3-carboxylate?
The InChIKey is UUUCIEWWPDGPLS-CSKARUKUSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-11-6-7(9(12)13-2)4-5-8(11)10/h3-6,10H,1H2,2H3/b10-8+.
What are the key properties of methyl 1-ethenyl-6-iminopyridine-3-carboxylate?
methyl 1-ethenyl-6-iminopyridine-3-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethenyl-6-iminopyridine-3-carboxylate is sourced from PubChem (CID 142237398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).