tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen

C15H24N2O4 — CID 144684381

IUPACtert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
SMILESCC(C)(C)OC(N)=O.CN1C(=O)CCOc2ccccc21.[H][H]
InChIInChI=1S/C10H11NO2.C5H11NO2.H2/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;1-5(2,3)8-4(6)7;/h2-5H,6-7H2,1H3;1-3H3,(H2,6,7);1H
InChIKeyFWXNYKIBWVJWDV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds

About tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen

tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen (PubChem CID 144684381) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
PubChem CID144684381
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
SMILESCC(C)(C)OC(N)=O.CN1C(=O)CCOc2ccccc21.[H][H]
InChIInChI=1S/C10H11NO2.C5H11NO2.H2/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;1-5(2,3)8-4(6)7;/h2-5H,6-7H2,1H3;1-3H3,(H2,6,7);1H
InChIKeyFWXNYKIBWVJWDV-UHFFFAOYSA-N
XLogP2.56
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl carbamate;8-chloro-5-propan-2-yl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145466177
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 145225301
(E)-7-(2-bromophenyl)-2-methoxyhept-6-enamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 143582546
5-[(4-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 144684504
5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225708
1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225456
7-(1-amino-2-hydroxypropan-2-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82480880
methyl 3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoate
CID 43627739
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
CID 145225064
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-6-carboxylic acid
CID 83822514

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen?
The IUPAC name of tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen (CID 144684381) is tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen.
What is the SMILES notation for tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen?
The canonical SMILES for tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen is CC(C)(C)OC(N)=O.CN1C(=O)CCOc2ccccc21.[H][H].
What is the InChIKey of tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen?
The InChIKey is FWXNYKIBWVJWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C5H11NO2.H2/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;1-5(2,3)8-4(6)7;/h2-5H,6-7H2,1H3;1-3H3,(H2,6,7);1H.
What are the key properties of tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen?
tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen has a molecular weight of 296.37 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen is sourced from PubChem (CID 144684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).