[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate

C13H18N2O — CID 134871242

IUPAC[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate
SMILES[H]/N=C(/OC(C)/C=C/c1ccccc1)N(C)C
InChIInChI=1S/C13H18N2O/c1-11(16-13(14)15(2)3)9-10-12-7-5-4-6-8-12/h4-11,14H,1-3H3/b10-9+,14-13+
InChIKeyHTQYDCJHGQLWOD-LBSPPQMYSA-N
MW218.30 g/mol
LogP2.60
Rot. Bonds3

About [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate

[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate (PubChem CID 134871242) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate.

Molecular Properties

Compound Name[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate
PubChem CID134871242
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate
SMILES[H]/N=C(/OC(C)/C=C/c1ccccc1)N(C)C
InChIInChI=1S/C13H18N2O/c1-11(16-13(14)15(2)3)9-10-12-7-5-4-6-8-12/h4-11,14H,1-3H3/b10-9+,14-13+
InChIKeyHTQYDCJHGQLWOD-LBSPPQMYSA-N
XLogP2.60
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
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

[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
[(E)-4-phenylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10776819
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
[2,2,2-trichloro-1-[(E)-4-phenylbut-3-en-2-yl]oxyethyl] acetate
CID 101000329
N,N-dimethylmethanamine;stilbene
CID 174368184
bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane
CID 13272629
phenyl (E)-2-methyl-4-phenylbut-3-enoate
CID 11482156
[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate
CID 11150092
3-phenylprop-2-ene-1,1-diol
CID 54432533

Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate?
The IUPAC name of [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate (CID 134871242) is [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate.
What is the SMILES notation for [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate?
The canonical SMILES for [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate is [H]/N=C(/OC(C)/C=C/c1ccccc1)N(C)C.
What is the InChIKey of [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate?
The InChIKey is HTQYDCJHGQLWOD-LBSPPQMYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16-13(14)15(2)3)9-10-12-7-5-4-6-8-12/h4-11,14H,1-3H3/b10-9+,14-13+.
What are the key properties of [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate?
[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate has a molecular weight of 218.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate is sourced from PubChem (CID 134871242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).