methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate

C8H13NO2 — CID 155687621

IUPACmethyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate
SMILESC=C(C)/N=C(\OC)C(=C)OC
InChIInChI=1S/C8H13NO2/c1-6(2)9-8(11-5)7(3)10-4/h1,3H2,2,4-5H3/b9-8-
InChIKeyPODOSKOXABCLPW-HJWRWDBZSA-N
MW155.20 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate

methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate (PubChem CID 155687621) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate.

Molecular Properties

Compound Namemethyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate
PubChem CID155687621
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate
SMILESC=C(C)/N=C(\OC)C(=C)OC
InChIInChI=1S/C8H13NO2/c1-6(2)9-8(11-5)7(3)10-4/h1,3H2,2,4-5H3/b9-8-
InChIKeyPODOSKOXABCLPW-HJWRWDBZSA-N
XLogP1.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
methyl (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidate
CID 145374341
N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride
CID 169155066
fluoromethane;2-methoxyprop-1-ene
CID 143721713
N-prop-1-en-2-ylethanimidoyl azide
CID 139547217
3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
CID 163278180
methyl N-but-1-en-2-ylethanimidate
CID 177320035
methyl (2E)-3-methyl-4-(1-methylsulfanylethylideneamino)penta-2,4-dienoate
CID 143730948
N-(1-methoxyethenyl)methanimine
CID 123326065
(3Z,5Z)-3,5,7,7,7-pentachloro-2-methoxy-6-methylhepta-1,3,5-trien-4-ol
CID 89351492
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate?
The IUPAC name of methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate (CID 155687621) is methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate.
What is the SMILES notation for methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate?
The canonical SMILES for methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate is C=C(C)/N=C(\OC)C(=C)OC.
What is the InChIKey of methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate?
The InChIKey is PODOSKOXABCLPW-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)9-8(11-5)7(3)10-4/h1,3H2,2,4-5H3/b9-8-.
What are the key properties of methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate?
methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate has a molecular weight of 155.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate is sourced from PubChem (CID 155687621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).