(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate

C17H19NO — CID 12727823

IUPAC(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate
SMILESC[N+](C)(/C=C(\[O-])c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-18(2,13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b17-14-
InChIKeyTUDZPVHROSMVHI-VKAVYKQESA-N
MW253.35 g/mol
LogP2.62
Rot. Bonds4

About (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate

(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate (PubChem CID 12727823) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate.

Molecular Properties

Compound Name(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate
PubChem CID12727823
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate
SMILESC[N+](C)(/C=C(\[O-])c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-18(2,13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b17-14-
InChIKeyTUDZPVHROSMVHI-VKAVYKQESA-N
XLogP2.62
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 59570682
2-(Benzyl(methyl)amino)-1-phenylethanol
CID 10466877
3-[Benzyl(methyl)amino]-1-phenylpropan-1-ol
CID 15678556
3-[Benzyl(methyl)amino]-1,1-diphenylpropan-1-ol
CID 213215
1-Methoxy-n,n-dimethyl-1,1-diphenylmethanamine
CID 219164
(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol
CID 102170797
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756
N,N,O-tribenzylhydroxylamine
CID 12045651
Diphenylpiperidylcarbinol
CID 12132360
[Hydroxy(diphenyl)methyl]pyrrolidin
CID 13928839
2-(3-Methyl-5-phenyloxazolyl) benzene
CID 14031387

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate?
The IUPAC name of (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate (CID 12727823) is (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate.
What is the SMILES notation for (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate?
The canonical SMILES for (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate is C[N+](C)(/C=C(\[O-])c1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate?
The InChIKey is TUDZPVHROSMVHI-VKAVYKQESA-N. The full InChI is InChI=1S/C17H19NO/c1-18(2,13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/b17-14-.
What are the key properties of (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate?
(Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate has a molecular weight of 253.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[benzyl(dimethyl)azaniumyl]-1-phenylethenolate is sourced from PubChem (CID 12727823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).