methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate

C10H15NO2 — CID 90691877

IUPACmethyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate
SMILESC=C(/C=C(/C)N=C(C)C)C(=O)OC
InChIInChI=1S/C10H15NO2/c1-7(2)11-9(4)6-8(3)10(12)13-5/h6H,3H2,1-2,4-5H3/b9-6-
InChIKeyBULNWGAHCSRFCN-TWGQIWQCSA-N
MW181.23 g/mol
LogP2.10
Rot. Bonds3

About methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate

methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate (PubChem CID 90691877) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate
PubChem CID90691877
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate
SMILESC=C(/C=C(/C)N=C(C)C)C(=O)OC
InChIInChI=1S/C10H15NO2/c1-7(2)11-9(4)6-8(3)10(12)13-5/h6H,3H2,1-2,4-5H3/b9-6-
InChIKeyBULNWGAHCSRFCN-TWGQIWQCSA-N
XLogP2.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.10
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 6-methyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
CID 59876396
methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876406
(Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoic acid
CID 118281602
methyl (3Z)-5-isocyanato-2-methylidenehexa-3,5-dienoate
CID 118857938
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one
CID 170192115
methyl (3Z,5E)-5-isocyanatocycloocta-1,3,5,7-tetraene-1-carboxylate
CID 173712273
methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate
CID 11286971

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate?
The IUPAC name of methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate (CID 90691877) is methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate.
What is the SMILES notation for methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate?
The canonical SMILES for methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate is C=C(/C=C(/C)N=C(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate?
The InChIKey is BULNWGAHCSRFCN-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)11-9(4)6-8(3)10(12)13-5/h6H,3H2,1-2,4-5H3/b9-6-.
What are the key properties of methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate?
methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate has a molecular weight of 181.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate is sourced from PubChem (CID 90691877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).