methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate

C8H11NO2 — CID 175637730

IUPACmethyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
SMILESC=N/C=C(\C=C/C)C(=O)OC
InChIInChI=1S/C8H11NO2/c1-4-5-7(6-9-2)8(10)11-3/h4-6H,2H2,1,3H3/b5-4-,7-6+
InChIKeyKGZIZQWLFHWSFG-SCFJQAPRSA-N
MW153.18 g/mol
LogP1.32
Rot. Bonds3

About methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate

methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate (PubChem CID 175637730) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
PubChem CID175637730
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
SMILESC=N/C=C(\C=C/C)C(=O)OC
InChIInChI=1S/C8H11NO2/c1-4-5-7(6-9-2)8(10)11-3/h4-6H,2H2,1,3H3/b5-4-,7-6+
InChIKeyKGZIZQWLFHWSFG-SCFJQAPRSA-N
XLogP1.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.32
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
methyl (2E)-2-[(E)-prop-1-enyl]trideca-2,12-dienoate
CID 134979438
(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal
CID 176567543
methyl (Z)-2-[methyl-(methylideneamino)amino]but-2-enoate
CID 177367511
methyl (E)-2-formylbut-2-enoate
CID 13359377
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
methyl 2,3-dimethylhexa-2,4-dienoate
CID 72585476
methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544311
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
CID 18785000
methyl (E)-2-diazopent-3-enoate
CID 86761092

Frequently Asked Questions

What is the IUPAC name of methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate?
The IUPAC name of methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate (CID 175637730) is methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate.
What is the SMILES notation for methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate?
The canonical SMILES for methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate is C=N/C=C(\C=C/C)C(=O)OC.
What is the InChIKey of methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate?
The InChIKey is KGZIZQWLFHWSFG-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-5-7(6-9-2)8(10)11-3/h4-6H,2H2,1,3H3/b5-4-,7-6+.
What are the key properties of methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate?
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate has a molecular weight of 153.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate is sourced from PubChem (CID 175637730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).