phenyl (Z)-N-ethenylbut-2-enimidate

C12H13NO — CID 142437347

IUPACphenyl (Z)-N-ethenylbut-2-enimidate
SMILESC=C/N=C(\C=C/C)Oc1ccccc1
InChIInChI=1S/C12H13NO/c1-3-8-12(13-4-2)14-11-9-6-5-7-10-11/h3-10H,2H2,1H3/b8-3-,13-12+
InChIKeyMBNYCJUJJVBJNV-YJNQABLTSA-N
MW187.24 g/mol
LogP3.18
Rot. Bonds3

About phenyl (Z)-N-ethenylbut-2-enimidate

phenyl (Z)-N-ethenylbut-2-enimidate (PubChem CID 142437347) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is phenyl (Z)-N-ethenylbut-2-enimidate.

Molecular Properties

Compound Namephenyl (Z)-N-ethenylbut-2-enimidate
PubChem CID142437347
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Namephenyl (Z)-N-ethenylbut-2-enimidate
SMILESC=C/N=C(\C=C/C)Oc1ccccc1
InChIInChI=1S/C12H13NO/c1-3-8-12(13-4-2)14-11-9-6-5-7-10-11/h3-10H,2H2,1H3/b8-3-,13-12+
InChIKeyMBNYCJUJJVBJNV-YJNQABLTSA-N
XLogP3.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
(Z)-N-ethenyl-1-phenylbut-2-en-1-imine
CID 130193571
phenyl N-ethenyl-2-methylidene-3-oxobutanimidate
CID 143860772
1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
CID 167082780
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
phenyl carbamate;prop-1-ene
CID 158313196
(3-bromophenyl) (Z)-N-methylbut-2-enimidate
CID 143672328
ethane;phenyl (2E,4E,5Z)-4-ethylidenehepta-2,5-dienoate
CID 142315513
(2-oxo-2-phenoxyethyl) (E)-but-2-enoate
CID 139920306
phenyl (E)-3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126845
phenyl 3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126846
methyl (1Z,2Z)-N-phenoxycarbonylpenta-2,4-dienimidate
CID 177469291

Frequently Asked Questions

What is the IUPAC name of phenyl (Z)-N-ethenylbut-2-enimidate?
The IUPAC name of phenyl (Z)-N-ethenylbut-2-enimidate (CID 142437347) is phenyl (Z)-N-ethenylbut-2-enimidate.
What is the SMILES notation for phenyl (Z)-N-ethenylbut-2-enimidate?
The canonical SMILES for phenyl (Z)-N-ethenylbut-2-enimidate is C=C/N=C(\C=C/C)Oc1ccccc1.
What is the InChIKey of phenyl (Z)-N-ethenylbut-2-enimidate?
The InChIKey is MBNYCJUJJVBJNV-YJNQABLTSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-8-12(13-4-2)14-11-9-6-5-7-10-11/h3-10H,2H2,1H3/b8-3-,13-12+.
What are the key properties of phenyl (Z)-N-ethenylbut-2-enimidate?
phenyl (Z)-N-ethenylbut-2-enimidate has a molecular weight of 187.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (Z)-N-ethenylbut-2-enimidate is sourced from PubChem (CID 142437347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).