6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one

C14H16BNO3 — CID 89451321

IUPAC6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESC=C1OB(c2ccc3c(c2)CCC(=O)N3)OC1(C)C
InChIInChI=1S/C14H16BNO3/c1-9-14(2,3)19-15(18-9)11-5-6-12-10(8-11)4-7-13(17)16-12/h5-6,8H,1,4,7H2,2-3H3,(H,16,17)
InChIKeyPVMWZFAZTDAQQZ-UHFFFAOYSA-N
MW257.10 g/mol
LogP1.61
Rot. Bonds1

About 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one

6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 89451321) has the molecular formula C14H16BNO3 and a molecular weight of 257.10 g/mol. Its IUPAC name is 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID89451321
Molecular FormulaC14H16BNO3
Molecular Weight257.10 g/mol
Exact Mass257.12
IUPAC Name6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESC=C1OB(c2ccc3c(c2)CCC(=O)N3)OC1(C)C
InChIInChI=1S/C14H16BNO3/c1-9-14(2,3)19-15(18-9)11-5-6-12-10(8-11)4-7-13(17)16-12/h5-6,8H,1,4,7H2,2-3H3,(H,16,17)
InChIKeyPVMWZFAZTDAQQZ-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-[8-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)chrysen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88553179
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 66683727
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95436529
2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile
CID 115129137
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
CID 59763201

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 89451321) is 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one is C=C1OB(c2ccc3c(c2)CCC(=O)N3)OC1(C)C.
What is the InChIKey of 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PVMWZFAZTDAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BNO3/c1-9-14(2,3)19-15(18-9)11-5-6-12-10(8-11)4-7-13(17)16-12/h5-6,8H,1,4,7H2,2-3H3,(H,16,17).
What are the key properties of 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 257.10 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 89451321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).