methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate

C9H13NO3 — CID 166894690

IUPACmethyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate
SMILESC=C/C(=N\C=C(/C)C(=O)OC)OC
InChIInChI=1S/C9H13NO3/c1-5-8(12-3)10-6-7(2)9(11)13-4/h5-6H,1H2,2-4H3/b7-6+,10-8+
InChIKeyUYUCYZJYVWKPBD-LQPGMRSMSA-N
MW183.21 g/mol
LogP1.29
Rot. Bonds3

About methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate

methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate (PubChem CID 166894690) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate
PubChem CID166894690
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate
SMILESC=C/C(=N\C=C(/C)C(=O)OC)OC
InChIInChI=1S/C9H13NO3/c1-5-8(12-3)10-6-7(2)9(11)13-4/h5-6H,1H2,2-4H3/b7-6+,10-8+
InChIKeyUYUCYZJYVWKPBD-LQPGMRSMSA-N
XLogP1.29
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-formyl-2-methylpenta-2,4-dienoate
CID 123410073
methyl (2E,4E)-2,5-dimethylhepta-2,4,6-trienoate
CID 87948961
methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
methyl 3-chloro-2-methylprop-2-enoate
CID 54075272
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
methyl (E)-3-chloro-2-methylprop-2-enoate
CID 12586999
methyl (Z)-3-fluoro-2-methylprop-2-enoate
CID 12587009
methyl 2-methylhepta-2,6-dienoate
CID 54478570
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
2-chlorobuta-1,3-diene;methyl 2-methylprop-2-enoate
CID 86748634
methyl (2E,4E)-2-methyl-6-oxohexa-2,4-dienoate
CID 11051871
dimethyl 2-methylbut-2-enedioate
CID 12045

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate (CID 166894690) is methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate is C=C/C(=N\C=C(/C)C(=O)OC)OC.
What is the InChIKey of methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate?
The InChIKey is UYUCYZJYVWKPBD-LQPGMRSMSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-8(12-3)10-6-7(2)9(11)13-4/h5-6H,1H2,2-4H3/b7-6+,10-8+.
What are the key properties of methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate?
methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate is sourced from PubChem (CID 166894690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).