(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol

C12H16N2O3 — CID 139242791

IUPAC(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol
SMILESCCN(CC)/C(O)=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O3/c1-3-13(4-2)12(15)9-10-6-5-7-11(8-10)14(16)17/h5-9,15H,3-4H2,1-2H3/b12-9-
InChIKeyJMDZRWJFCDYYEP-XFXZXTDPSA-N
MW236.27 g/mol
LogP2.79
Rot. Bonds5

About (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol

(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol (PubChem CID 139242791) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol.

Molecular Properties

Compound Name(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol
PubChem CID139242791
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol
SMILESCCN(CC)/C(O)=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O3/c1-3-13(4-2)12(15)9-10-6-5-7-11(8-10)14(16)17/h5-9,15H,3-4H2,1-2H3/b12-9-
InChIKeyJMDZRWJFCDYYEP-XFXZXTDPSA-N
XLogP2.79
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-(3-nitrophenyl)prop-2-enamide
CID 692295
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354
(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856
methyl (2E)-2-[(3-nitrophenyl)methylidene]butanoate
CID 59654824
CID 175409039
CID 175409039
(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol
CID 103091267
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-(3-nitrophenyl)prop-1-en-2-yl acetate
CID 131853460
(2Z)-4-acetyloxy-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid
CID 67915467
(Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721309
methyl (E)-2-(hydroxymethyl)-3-(3-nitrophenyl)prop-2-enoate
CID 11851255
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol?
The IUPAC name of (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol (CID 139242791) is (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol.
What is the SMILES notation for (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol?
The canonical SMILES for (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol is CCN(CC)/C(O)=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol?
The InChIKey is JMDZRWJFCDYYEP-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-13(4-2)12(15)9-10-6-5-7-11(8-10)14(16)17/h5-9,15H,3-4H2,1-2H3/b12-9-.
What are the key properties of (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol?
(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol has a molecular weight of 236.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol is sourced from PubChem (CID 139242791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).