(Z)-3-(dimethylamino)-2-phenoxyprop-2-enal

C11H13NO2 — CID 6932948

IUPAC(Z)-3-(dimethylamino)-2-phenoxyprop-2-enal
SMILESCN(C)/C=C(/C=O)Oc1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)8-11(9-13)14-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyPVACQTDAHXFXHO-FLIBITNWSA-N
MW191.23 g/mol
LogP1.67
Rot. Bonds4

About (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal

(Z)-3-(dimethylamino)-2-phenoxyprop-2-enal (PubChem CID 6932948) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-phenoxyprop-2-enal
PubChem CID6932948
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(Z)-3-(dimethylamino)-2-phenoxyprop-2-enal
SMILESCN(C)/C=C(/C=O)Oc1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)8-11(9-13)14-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyPVACQTDAHXFXHO-FLIBITNWSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(dimethylamino)-2-(3,5-dimethylphenoxy)prop-2-enal
CID 125487477
(Z)-1-cyclopropyl-3-(dimethylamino)-2-phenoxyprop-2-en-1-one
CID 118430455
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
diphenyl oxalate;ethane
CID 162013592
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
3-(dimethylamino)-N,N-dimethyl-2-(4-phenoxyphenyl)prop-2-enethioamide
CID 4669944
azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate
CID 174766179
phenyl 3,3-dimethyl-4-oxobutanoate
CID 162705347
(2Z)-2-(dimethylaminomethylidene)-4-phenylbutanal
CID 125466026
phenyl N-tert-butyl-N-(methylamino)carbamate
CID 174421673
phenyl acetate;hydroiodide
CID 172788123

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal?
The IUPAC name of (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal (CID 6932948) is (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal?
The canonical SMILES for (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal is CN(C)/C=C(/C=O)Oc1ccccc1.
What is the InChIKey of (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal?
The InChIKey is PVACQTDAHXFXHO-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)8-11(9-13)14-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-.
What are the key properties of (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal?
(Z)-3-(dimethylamino)-2-phenoxyprop-2-enal has a molecular weight of 191.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-phenoxyprop-2-enal is sourced from PubChem (CID 6932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).