ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine

C10H17NO — CID 143890655

IUPACethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine
SMILESC1=CC2=C(CC1)NCCO2.CC
InChIInChI=1S/C8H11NO.C2H6/c1-2-4-8-7(3-1)9-5-6-10-8;1-2/h2,4,9H,1,3,5-6H2;1-2H3
InChIKeyZCXHSGRKNVDPNX-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.19
Rot. Bonds

About ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine

ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine (PubChem CID 143890655) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine
PubChem CID143890655
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine
SMILESC1=CC2=C(CC1)NCCO2.CC
InChIInChI=1S/C8H11NO.C2H6/c1-2-4-8-7(3-1)9-5-6-10-8;1-2/h2,4,9H,1,3,5-6H2;1-2H3
InChIKeyZCXHSGRKNVDPNX-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine (CID 143890655) is ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine is C1=CC2=C(CC1)NCCO2.CC.
What is the InChIKey of ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is ZCXHSGRKNVDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-2-4-8-7(3-1)9-5-6-10-8;1-2/h2,4,9H,1,3,5-6H2;1-2H3.
What are the key properties of ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine?
ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 167.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5,6-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 143890655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).