4H-1,4-benzoxazin-3-one;naphthalene

C18H15NO2 — CID 165122765

IUPAC4H-1,4-benzoxazin-3-one;naphthalene
SMILESO=C1COc2ccccc2N1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H7NO2/c1-2-6-10-8-4-3-7-9(10)5-1;10-8-5-11-7-4-2-1-3-6(7)9-8/h1-8H;1-4H,5H2,(H,9,10)
InChIKeyBREQPPLKNVFNKP-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.86
Rot. Bonds

About 4H-1,4-benzoxazin-3-one;naphthalene

4H-1,4-benzoxazin-3-one;naphthalene (PubChem CID 165122765) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4H-1,4-benzoxazin-3-one;naphthalene.

Molecular Properties

Compound Name4H-1,4-benzoxazin-3-one;naphthalene
PubChem CID165122765
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4H-1,4-benzoxazin-3-one;naphthalene
SMILESO=C1COc2ccccc2N1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H7NO2/c1-2-6-10-8-4-3-7-9(10)5-1;10-8-5-11-7-4-2-1-3-6(7)9-8/h1-8H;1-4H,5H2,(H,9,10)
InChIKeyBREQPPLKNVFNKP-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(35Z)-2,12,16,26,33,38-hexaoxa-5,23-diazapentacyclo[37.4.0.06,11.017,22.027,32]tritetraconta-1(43),6,8,10,17,19,21,27,29,31,35,39,41-tridecaene-4,24-dione
CID 177419199
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
7-(2-chloroethyl)-4H-1,4-benzoxazin-3-one
CID 116994731
1,4-benzodioxin-3-one;4H-1,4-benzoxazine-3-thione
CID 143817255
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
(3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid
CID 57415809
6-[(2-ethylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 62390858
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
6-(2,2-diphenylethenyl)-4H-1,4-benzoxazin-3-one
CID 11702621

Frequently Asked Questions

What is the IUPAC name of 4H-1,4-benzoxazin-3-one;naphthalene?
The IUPAC name of 4H-1,4-benzoxazin-3-one;naphthalene (CID 165122765) is 4H-1,4-benzoxazin-3-one;naphthalene.
What is the SMILES notation for 4H-1,4-benzoxazin-3-one;naphthalene?
The canonical SMILES for 4H-1,4-benzoxazin-3-one;naphthalene is O=C1COc2ccccc2N1.c1ccc2ccccc2c1.
What is the InChIKey of 4H-1,4-benzoxazin-3-one;naphthalene?
The InChIKey is BREQPPLKNVFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H7NO2/c1-2-6-10-8-4-3-7-9(10)5-1;10-8-5-11-7-4-2-1-3-6(7)9-8/h1-8H;1-4H,5H2,(H,9,10).
What are the key properties of 4H-1,4-benzoxazin-3-one;naphthalene?
4H-1,4-benzoxazin-3-one;naphthalene has a molecular weight of 277.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,4-benzoxazin-3-one;naphthalene is sourced from PubChem (CID 165122765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).