2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine

C11H16N2O — CID 135135724

IUPAC2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine
SMILESCN1Cc2ncccc2OC(C)(C)C1
InChIInChI=1S/C11H16N2O/c1-11(2)8-13(3)7-9-10(14-11)5-4-6-12-9/h4-6H,7-8H2,1-3H3
InChIKeyZIJLAJHGJPKYCZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds

About 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine

2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine (PubChem CID 135135724) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine
PubChem CID135135724
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine
SMILESCN1Cc2ncccc2OC(C)(C)C1
InChIInChI=1S/C11H16N2O/c1-11(2)8-13(3)7-9-10(14-11)5-4-6-12-9/h4-6H,7-8H2,1-3H3
InChIKeyZIJLAJHGJPKYCZ-UHFFFAOYSA-N
XLogP1.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
CID 13212020
N-cyclopropyl-N,2,2-trimethyl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 166302369
2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
CID 13196546
4-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine
CID 126813378
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine
CID 130304754
2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol
CID 23049078
6-propan-2-yl-5,8-dihydropyrido[3,2-d]thiazine 7,7-dioxide
CID 67806203
7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 175781475
7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
CID 167037500
3-iodo-5-methylspiro[3,4-dihydropyrido[3,2-b][1,4]oxazepine-2,1'-cyclopropane]
CID 175697772
1'-methylspiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]
CID 90842756
2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
CID 19895611

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine?
The IUPAC name of 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine (CID 135135724) is 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine.
What is the SMILES notation for 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine?
The canonical SMILES for 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine is CN1Cc2ncccc2OC(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine?
The InChIKey is ZIJLAJHGJPKYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)8-13(3)7-9-10(14-11)5-4-6-12-9/h4-6H,7-8H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine?
2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine has a molecular weight of 192.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine is sourced from PubChem (CID 135135724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).