prop-1-en-2-yl N,3-dimethylbenzenecarboximidate

C12H15NO — CID 143185658

IUPACprop-1-en-2-yl N,3-dimethylbenzenecarboximidate
SMILESC=C(C)O/C(=N\C)c1cccc(C)c1
InChIInChI=1S/C12H15NO/c1-9(2)14-12(13-4)11-7-5-6-10(3)8-11/h5-8H,1H2,2-4H3/b13-12-
InChIKeyRUURHXSAGGZZMG-SEYXRHQNSA-N
MW189.26 g/mol
LogP2.92
Rot. Bonds2

About prop-1-en-2-yl N,3-dimethylbenzenecarboximidate

prop-1-en-2-yl N,3-dimethylbenzenecarboximidate (PubChem CID 143185658) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is prop-1-en-2-yl N,3-dimethylbenzenecarboximidate.

Molecular Properties

Compound Nameprop-1-en-2-yl N,3-dimethylbenzenecarboximidate
PubChem CID143185658
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Nameprop-1-en-2-yl N,3-dimethylbenzenecarboximidate
SMILESC=C(C)O/C(=N\C)c1cccc(C)c1
InChIInChI=1S/C12H15NO/c1-9(2)14-12(13-4)11-7-5-6-10(3)8-11/h5-8H,1H2,2-4H3/b13-12-
InChIKeyRUURHXSAGGZZMG-SEYXRHQNSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
N',3-dimethyl-N-methylidenebenzenecarboximidamide
CID 144989713
methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate
CID 143876122
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
trimethyl-[1-(3-methylphenyl)ethenoxy]silane
CID 15274400
ethane;N-[(1Z)-3-(3-methylphenyl)buta-1,3-dienyl]propan-2-imine
CID 145022260
1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
CID 143192963
1-methyl-3-[1-(3-methylbut-2-en-2-ylsulfanyl)ethenyl]benzene
CID 142235703
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
CID 174102680
CID 174102680
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N,3-dimethylbenzenecarboximidate?
The IUPAC name of prop-1-en-2-yl N,3-dimethylbenzenecarboximidate (CID 143185658) is prop-1-en-2-yl N,3-dimethylbenzenecarboximidate.
What is the SMILES notation for prop-1-en-2-yl N,3-dimethylbenzenecarboximidate?
The canonical SMILES for prop-1-en-2-yl N,3-dimethylbenzenecarboximidate is C=C(C)O/C(=N\C)c1cccc(C)c1.
What is the InChIKey of prop-1-en-2-yl N,3-dimethylbenzenecarboximidate?
The InChIKey is RUURHXSAGGZZMG-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)14-12(13-4)11-7-5-6-10(3)8-11/h5-8H,1H2,2-4H3/b13-12-.
What are the key properties of prop-1-en-2-yl N,3-dimethylbenzenecarboximidate?
prop-1-en-2-yl N,3-dimethylbenzenecarboximidate has a molecular weight of 189.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N,3-dimethylbenzenecarboximidate is sourced from PubChem (CID 143185658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).