4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine

C9H13NO — CID 123902068

IUPAC4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
SMILESCN1CCOC2C=CC=CC21
InChIInChI=1S/C9H13NO/c1-10-6-7-11-9-5-3-2-4-8(9)10/h2-5,8-9H,6-7H2,1H3
InChIKeyASALDKDVOXEFBJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.81
Rot. Bonds

About 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine

4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine (PubChem CID 123902068) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
PubChem CID123902068
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
SMILESCN1CCOC2C=CC=CC21
InChIInChI=1S/C9H13NO/c1-10-6-7-11-9-5-3-2-4-8(9)10/h2-5,8-9H,6-7H2,1H3
InChIKeyASALDKDVOXEFBJ-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 166944297
4-Methyl-2,3,4a,5-tetrahydro-1,4-benzoxazine
CID 17987380
3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 22475307
4-(3,6-dihydro-2H-pyran-3-yl)morpholine
CID 22727636
2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
4,6-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 59613732
4,7-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 60032173
7-Methoxy-4-prop-2-enyl-2,3,4a,5-tetrahydro-1,4-benzoxazine
CID 70458047
4-Propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 89973809
4-(2-Ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
CID 123822583
5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 126733803
2,3,4a,8a-Tetrahydro-1,4-benzoxazin-4-amine
CID 132198835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine (CID 123902068) is 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine is CN1CCOC2C=CC=CC21.
What is the InChIKey of 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The InChIKey is ASALDKDVOXEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-6-7-11-9-5-3-2-4-8(9)10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine has a molecular weight of 151.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 123902068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).