4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine

C13H17NO — CID 167634223

IUPAC4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine
SMILESC=C1COc2c(C(C)C)cccc2N1C
InChIInChI=1S/C13H17NO/c1-9(2)11-6-5-7-12-13(11)15-8-10(3)14(12)4/h5-7,9H,3,8H2,1-2,4H3
InChIKeyBKWSQKBLSYIJLS-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.15
Rot. Bonds1

About 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine

4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine (PubChem CID 167634223) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine
PubChem CID167634223
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine
SMILESC=C1COc2c(C(C)C)cccc2N1C
InChIInChI=1S/C13H17NO/c1-9(2)11-6-5-7-12-13(11)15-8-10(3)14(12)4/h5-7,9H,3,8H2,1-2,4H3
InChIKeyBKWSQKBLSYIJLS-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole
CID 158371515
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
ethane;6-propan-2-ylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]
CID 165000926
2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620477
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
6-propan-2-yl-4H-chromeno[4,3-d][1,3]thiazole
CID 141111505
1-(9-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine
CID 82248001
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine?
The IUPAC name of 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine (CID 167634223) is 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine?
The canonical SMILES for 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine is C=C1COc2c(C(C)C)cccc2N1C.
What is the InChIKey of 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine?
The InChIKey is BKWSQKBLSYIJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12-13(11)15-8-10(3)14(12)4/h5-7,9H,3,8H2,1-2,4H3.
What are the key properties of 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine?
4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine has a molecular weight of 203.28 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-8-propan-2-yl-1,4-benzoxazine is sourced from PubChem (CID 167634223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).