3,4-dihydro-2H-benzo[g][1,4]benzoxazine

C12H11NO — CID 83789533

IUPAC3,4-dihydro-2H-benzo[g][1,4]benzoxazine
SMILESc1ccc2cc3c(cc2c1)NCCO3
InChIInChI=1S/C12H11NO/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12/h1-4,7-8,13H,5-6H2
InChIKeyLEEGTLAROBTNHL-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.64
Rot. Bonds

About 3,4-dihydro-2H-benzo[g][1,4]benzoxazine

3,4-dihydro-2H-benzo[g][1,4]benzoxazine (PubChem CID 83789533) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-benzo[g][1,4]benzoxazine.

Molecular Properties

Compound Name3,4-dihydro-2H-benzo[g][1,4]benzoxazine
PubChem CID83789533
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3,4-dihydro-2H-benzo[g][1,4]benzoxazine
SMILESc1ccc2cc3c(cc2c1)NCCO3
InChIInChI=1S/C12H11NO/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12/h1-4,7-8,13H,5-6H2
InChIKeyLEEGTLAROBTNHL-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-pyrido[3,2-g][1,4]benzoxazine
CID 21353728
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 56965755
CID 89013099
CID 89013099
6,7-ditert-butyl-3,4-dihydro-2H-1,4-benzoxazine
CID 162423996
6-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 58641530
3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
CID 167717191
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene
CID 23659227
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;hydrochloride
CID 164886209

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-benzo[g][1,4]benzoxazine?
The IUPAC name of 3,4-dihydro-2H-benzo[g][1,4]benzoxazine (CID 83789533) is 3,4-dihydro-2H-benzo[g][1,4]benzoxazine.
What is the SMILES notation for 3,4-dihydro-2H-benzo[g][1,4]benzoxazine?
The canonical SMILES for 3,4-dihydro-2H-benzo[g][1,4]benzoxazine is c1ccc2cc3c(cc2c1)NCCO3.
What is the InChIKey of 3,4-dihydro-2H-benzo[g][1,4]benzoxazine?
The InChIKey is LEEGTLAROBTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12/h1-4,7-8,13H,5-6H2.
What are the key properties of 3,4-dihydro-2H-benzo[g][1,4]benzoxazine?
3,4-dihydro-2H-benzo[g][1,4]benzoxazine has a molecular weight of 185.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-benzo[g][1,4]benzoxazine is sourced from PubChem (CID 83789533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).