[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate

C11H17NO2 — CID 122677965

IUPAC[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate
SMILESC=C(/C=C\C)C(=O)O/N=C(/C)C(C)C
InChIInChI=1S/C11H17NO2/c1-6-7-9(4)11(13)14-12-10(5)8(2)3/h6-8H,4H2,1-3,5H3/b7-6-,12-10-
InChIKeyRWCRNYGEEMHGAD-CEHXRRPISA-N
MW195.26 g/mol
LogP2.69
Rot. Bonds4

About [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate

[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate (PubChem CID 122677965) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate.

Molecular Properties

Compound Name[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate
PubChem CID122677965
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate
SMILESC=C(/C=C\C)C(=O)O/N=C(/C)C(C)C
InChIInChI=1S/C11H17NO2/c1-6-7-9(4)11(13)14-12-10(5)8(2)3/h6-8H,4H2,1-3,5H3/b7-6-,12-10-
InChIKeyRWCRNYGEEMHGAD-CEHXRRPISA-N
XLogP2.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.69
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate?
The IUPAC name of [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate (CID 122677965) is [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate.
What is the SMILES notation for [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate?
The canonical SMILES for [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate is C=C(/C=C\C)C(=O)O/N=C(/C)C(C)C.
What is the InChIKey of [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate?
The InChIKey is RWCRNYGEEMHGAD-CEHXRRPISA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-7-9(4)11(13)14-12-10(5)8(2)3/h6-8H,4H2,1-3,5H3/b7-6-,12-10-.
What are the key properties of [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate?
[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate has a molecular weight of 195.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate is sourced from PubChem (CID 122677965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).