(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine

C7H10BNO2 — CID 163757508

IUPAC(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1=C(C)OB(C)O1
InChIInChI=1S/C7H10BNO2/c1-6-7(4-3-5-9)11-8(2)10-6/h3-5,9H,1-2H3/b4-3-,9-5+
InChIKeyLVIUPLVWIYVYIY-XBURUKCPSA-N
MW150.97 g/mol
LogP1.59
Rot. Bonds2

About (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine

(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine (PubChem CID 163757508) has the molecular formula C7H10BNO2 and a molecular weight of 150.97 g/mol. Its IUPAC name is (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine
PubChem CID163757508
Molecular FormulaC7H10BNO2
Molecular Weight150.97 g/mol
Exact Mass151.08
IUPAC Name(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1=C(C)OB(C)O1
InChIInChI=1S/C7H10BNO2/c1-6-7(4-3-5-9)11-8(2)10-6/h3-5,9H,1-2H3/b4-3-,9-5+
InChIKeyLVIUPLVWIYVYIY-XBURUKCPSA-N
XLogP1.59
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(1H-pyrrol-1-ium-3-yl)prop-2-en-1-imine
CID 101138921
lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate
CID 172512168
hexa-2,4-dien-1-imine
CID 86115777
(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-en-1-imine
CID 160695721
4-[(Z)-3-iminoprop-1-enyl]-5-methylthiophene-2-carboxylic acid
CID 145106601
2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine
CID 144754678
(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine
CID 153344024
(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine
CID 139321163
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-imine
CID 163955742
N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide
CID 130222957
(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine
CID 158523336
2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol
CID 166942628

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine (CID 163757508) is (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine is [H]/N=C/C=C\C1=C(C)OB(C)O1.
What is the InChIKey of (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine?
The InChIKey is LVIUPLVWIYVYIY-XBURUKCPSA-N. The full InChI is InChI=1S/C7H10BNO2/c1-6-7(4-3-5-9)11-8(2)10-6/h3-5,9H,1-2H3/b4-3-,9-5+.
What are the key properties of (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine?
(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine has a molecular weight of 150.97 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 163757508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).