ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine

C14H25NO — CID 142558688

IUPACethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC.CC.CCc1ccc2c(c1)OCCN2
InChIInChI=1S/C10H13NO.2C2H6/c1-2-8-3-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-4,7,11H,2,5-6H2,1H3;2*1-2H3
InChIKeyQRQJIMIUJMXGDP-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.11
Rot. Bonds1

About ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine

ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 142558688) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID142558688
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC.CC.CCc1ccc2c(c1)OCCN2
InChIInChI=1S/C10H13NO.2C2H6/c1-2-8-3-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-4,7,11H,2,5-6H2,1H3;2*1-2H3
InChIKeyQRQJIMIUJMXGDP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 142558688) is ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine is CC.CC.CCc1ccc2c(c1)OCCN2.
What is the InChIKey of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is QRQJIMIUJMXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2C2H6/c1-2-8-3-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-4,7,11H,2,5-6H2,1H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 223.36 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 142558688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).