dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate

C9H12N2O4 — CID 155276953

IUPACdimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate
SMILESC=N/C(=C\C(=N\C)C(=O)OC)C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-10-6(8(12)14-3)5-7(11-2)9(13)15-4/h5H,1H2,2-4H3/b6-5-,11-7-
InChIKeyHWDCPNHZXVFEJY-FUVGTJSASA-N
MW212.20 g/mol
LogP-0.01
Rot. Bonds4

About dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate

dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate (PubChem CID 155276953) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate
PubChem CID155276953
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namedimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate
SMILESC=N/C(=C\C(=N\C)C(=O)OC)C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-10-6(8(12)14-3)5-7(11-2)9(13)15-4/h5H,1H2,2-4H3/b6-5-,11-7-
InChIKeyHWDCPNHZXVFEJY-FUVGTJSASA-N
XLogP-0.01
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

dimethyl (2E,4E)-4-bromo-6-methyliminohepta-2,4-dienedioate
CID 143320891
methyl 2-(methylideneamino)-2-methyliminoacetate
CID 144794010
(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
CID 134360187
ethyl 4-chloro-2-methyliminopent-3-enoate
CID 123813090
prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
CID 137444605
2-[[(Z)-4-amino-2-(methylideneamino)-4-methyliminobut-2-enoyl]amino]acetic acid
CID 178031577
dimethyl oxalate
CID 11120
3-methoxy-2-methyliminobut-3-enal
CID 170587442
methyl (2Z,4Z)-3-(methylideneamino)-5-methylsulfanylhexa-2,4-dienoate
CID 163992511
methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544311
3-amino-4-methoxy-4-oxobut-2-enoic acid
CID 149437355
dimethyl oxalate;hydrochloride
CID 172754902

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate?
The IUPAC name of dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate (CID 155276953) is dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate is C=N/C(=C\C(=N\C)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate?
The InChIKey is HWDCPNHZXVFEJY-FUVGTJSASA-N. The full InChI is InChI=1S/C9H12N2O4/c1-10-6(8(12)14-3)5-7(11-2)9(13)15-4/h5H,1H2,2-4H3/b6-5-,11-7-.
What are the key properties of dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate?
dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate has a molecular weight of 212.20 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-(methylideneamino)-4-methyliminopent-2-enedioate is sourced from PubChem (CID 155276953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).