ethenyl 2-phenylpropanimidate

C11H13NO — CID 151371643

IUPACethenyl 2-phenylpropanimidate
SMILES[H]/N=C(\OC=C)C(C)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-9,12H,1H2,2H3/b12-11-
InChIKeyOQOKLLVHSGXZFI-QXMHVHEDSA-N
MW175.23 g/mol
LogP2.93
Rot. Bonds3

About ethenyl 2-phenylpropanimidate

ethenyl 2-phenylpropanimidate (PubChem CID 151371643) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is ethenyl 2-phenylpropanimidate.

Molecular Properties

Compound Nameethenyl 2-phenylpropanimidate
PubChem CID151371643
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Nameethenyl 2-phenylpropanimidate
SMILES[H]/N=C(\OC=C)C(C)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-9,12H,1H2,2H3/b12-11-
InChIKeyOQOKLLVHSGXZFI-QXMHVHEDSA-N
XLogP2.93
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
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

methyl (2R)-2-phenylpropanimidate
CID 92977760
ethenyl 2-phenylpropanoate
CID 11116578
ethenyl acetate;1-phenylethanol
CID 170349745
ethenyl 1-phenylethyl carbonate
CID 11008749
ethenyl (3R)-3-phenylbutanoate
CID 10487918
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
CID 142004050
ethenyl 2-phenylbutanoate
CID 10932238
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
3-fluorobut-3-en-2-ylbenzene
CID 54351405
N-ethenyl-2-methyl-4-phenylpent-2-en-3-amine
CID 89099160
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-phenylpropanimidate?
The IUPAC name of ethenyl 2-phenylpropanimidate (CID 151371643) is ethenyl 2-phenylpropanimidate.
What is the SMILES notation for ethenyl 2-phenylpropanimidate?
The canonical SMILES for ethenyl 2-phenylpropanimidate is [H]/N=C(\OC=C)C(C)c1ccccc1.
What is the InChIKey of ethenyl 2-phenylpropanimidate?
The InChIKey is OQOKLLVHSGXZFI-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-9,12H,1H2,2H3/b12-11-.
What are the key properties of ethenyl 2-phenylpropanimidate?
ethenyl 2-phenylpropanimidate has a molecular weight of 175.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-phenylpropanimidate is sourced from PubChem (CID 151371643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).