ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate

C11H17NO2 — CID 144855661

IUPACethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate
SMILESC=CC(=N\C)/C(=C\CC)C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-5-8-9(10(6-2)12-4)11(13)14-7-3/h6,8H,2,5,7H2,1,3-4H3/b9-8+,12-10+
InChIKeyFNNIJCWINURYEP-CDKJVOIVSA-N
MW195.26 g/mol
LogP2.14
Rot. Bonds5

About ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate

ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate (PubChem CID 144855661) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate
PubChem CID144855661
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate
SMILESC=CC(=N\C)/C(=C\CC)C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-5-8-9(10(6-2)12-4)11(13)14-7-3/h6,8H,2,5,7H2,1,3-4H3/b9-8+,12-10+
InChIKeyFNNIJCWINURYEP-CDKJVOIVSA-N
XLogP2.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-[N-methyl-C-(trifluoromethyl)carbonimidoyl]but-2-enoate;2-methylpropane
CID 143575654
diethyl 2,7-dimethyl-4H-azepine-3,6-dicarboxylate
CID 85780836
ethyl (Z)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylpent-2-enoate
CID 135010737
ethyl (E)-2-[N-methyl-C-(trifluoromethyl)carbonimidoyl]but-2-enoate
CID 143575655
4-(2-Ethoxyethylidene)-3-methyl-1,2-oxazol-5-one
CID 67870181
Prop-2-enyl 4-methyliminocyclohexa-1,5-diene-1-carboxylate
CID 70456587
(5-cyclohexa-1,5-dien-1-yl-2H-pyrrol-2-yl) 2-methylbut-2-enoate
CID 71138787
methyl 2-(C,N-dimethylcarbonimidoyl)penta-2,4-dienoate
CID 123289253
Ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
CID 123297765
dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate
CID 123466592
Ethyl 6-propyl-2,3-dihydropyridine-5-carboxylate
CID 123519400
ethyl (Z)-2-ethanimidoylhex-2-enoate
CID 123762918

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate?
The IUPAC name of ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate (CID 144855661) is ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate?
The canonical SMILES for ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate is C=CC(=N\C)/C(=C\CC)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate?
The InChIKey is FNNIJCWINURYEP-CDKJVOIVSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-8-9(10(6-2)12-4)11(13)14-7-3/h6,8H,2,5,7H2,1,3-4H3/b9-8+,12-10+.
What are the key properties of ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate?
ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate has a molecular weight of 195.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate is sourced from PubChem (CID 144855661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).