2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine

C17H17NO — CID 151401131

IUPAC2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine
SMILESCC=Cc1c(C)c(C)cc2c1-c1ccccc1NO2
InChIInChI=1S/C17H17NO/c1-4-7-13-12(3)11(2)10-16-17(13)14-8-5-6-9-15(14)18-19-16/h4-10,18H,1-3H3
InChIKeyOWMURTIJQFKURI-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.72
Rot. Bonds1

About 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine

2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine (PubChem CID 151401131) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine.

Molecular Properties

Compound Name2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine
PubChem CID151401131
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine
SMILESCC=Cc1c(C)c(C)cc2c1-c1ccccc1NO2
InChIInChI=1S/C17H17NO/c1-4-7-13-12(3)11(2)10-16-17(13)14-8-5-6-9-15(14)18-19-16/h4-10,18H,1-3H3
InChIKeyOWMURTIJQFKURI-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine?
The IUPAC name of 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine (CID 151401131) is 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine.
What is the SMILES notation for 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine?
The canonical SMILES for 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine is CC=Cc1c(C)c(C)cc2c1-c1ccccc1NO2.
What is the InChIKey of 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine?
The InChIKey is OWMURTIJQFKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-4-7-13-12(3)11(2)10-16-17(13)14-8-5-6-9-15(14)18-19-16/h4-10,18H,1-3H3.
What are the key properties of 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine?
2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine has a molecular weight of 251.33 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-prop-1-enyl-6H-benzo[c][1,2]benzoxazine is sourced from PubChem (CID 151401131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).