dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate

C10H15NO4 — CID 123466592

IUPACdimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate
SMILESC/N=C(\C)C(=CCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H15NO4/c1-7(11-2)8(10(13)15-4)5-6-9(12)14-3/h5H,6H2,1-4H3/b8-5?,11-7+
InChIKeyLRWFNSVRNRIGEB-QZLZKBLMSA-N
MW213.23 g/mol
LogP0.74
Rot. Bonds4

About dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate

dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate (PubChem CID 123466592) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate.

Molecular Properties

Compound Namedimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate
PubChem CID123466592
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namedimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate
SMILESC/N=C(\C)C(=CCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H15NO4/c1-7(11-2)8(10(13)15-4)5-6-9(12)14-3/h5H,6H2,1-4H3/b8-5?,11-7+
InChIKeyLRWFNSVRNRIGEB-QZLZKBLMSA-N
XLogP0.74
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2,7-dimethyl-4H-azepine-3,6-dicarboxylate
CID 85780840
ethyl (E)-2-[N-methyl-C-(trifluoromethyl)carbonimidoyl]but-2-enoate
CID 143575655
Methyl 6-methyl-2,3-dihydropyridine-4-carboxylate
CID 59918596
methyl 2-(C,N-dimethylcarbonimidoyl)penta-2,4-dienoate
CID 123289253
Ethyl 2-hydroxy-6-methyl-2,3-dihydropyridine-5-carboxylate
CID 123297765
1-O-ethyl 5-O-methyl (Z)-2-ethanimidoylpent-2-enedioate
CID 123814699
methyl (E)-2-(C-methyl-N-propan-2-ylcarbonimidoyl)but-2-enoate
CID 123923233
Diethyl 2-ethanimidoylpent-2-enedioate
CID 124000313
ethyl (E)-2-(C-ethenyl-N-methylcarbonimidoyl)pent-2-enoate
CID 144855661
methyl (E)-3-(3-methoxycarbonylbut-3-en-2-ylideneamino)-2-methylbut-2-enoate
CID 148052700
methyl (E)-2-(N-ethyl-C-methylcarbonimidoyl)pent-2-en-4-ynoate
CID 164020987
methyl (E)-2-(C,N-dimethylcarbonimidoyl)hept-2-enoate
CID 166676392

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate?
The IUPAC name of dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate (CID 123466592) is dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate.
What is the SMILES notation for dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate?
The canonical SMILES for dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate is C/N=C(\C)C(=CCC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate?
The InChIKey is LRWFNSVRNRIGEB-QZLZKBLMSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(11-2)8(10(13)15-4)5-6-9(12)14-3/h5H,6H2,1-4H3/b8-5?,11-7+.
What are the key properties of dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate?
dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate has a molecular weight of 213.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(C,N-dimethylcarbonimidoyl)pent-2-enedioate is sourced from PubChem (CID 123466592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).