ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate

C12H19NO2 — CID 166678314

IUPACethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate
SMILESC=C/C(=N\C(C)C)C1CC1C(=O)OCC
InChIInChI=1S/C12H19NO2/c1-5-11(13-8(3)4)9-7-10(9)12(14)15-6-2/h5,8-10H,1,6-7H2,2-4H3/b13-11+
InChIKeyMPGQWPQFGCIVBT-ACCUITESSA-N
MW209.29 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate

ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate (PubChem CID 166678314) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate
PubChem CID166678314
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate
SMILESC=C/C(=N\C(C)C)C1CC1C(=O)OCC
InChIInChI=1S/C12H19NO2/c1-5-11(13-8(3)4)9-7-10(9)12(14)15-6-2/h5,8-10H,1,6-7H2,2-4H3/b13-11+
InChIKeyMPGQWPQFGCIVBT-ACCUITESSA-N
XLogP2.22
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
trans-ethyl (1S,2S)-2-(4-methylpentanoyl)cyclopropane-1-carboxylate
CID 10774911
ethyl 2-(3-ethoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylate
CID 123260904
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445
ethyl (2R,3S,5S,6S)-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane-3-carboxylate
CID 57338512
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate (CID 166678314) is ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate is C=C/C(=N\C(C)C)C1CC1C(=O)OCC.
What is the InChIKey of ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate?
The InChIKey is MPGQWPQFGCIVBT-ACCUITESSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-11(13-8(3)4)9-7-10(9)12(14)15-6-2/h5,8-10H,1,6-7H2,2-4H3/b13-11+.
What are the key properties of ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate?
ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(C-ethenyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 166678314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).