5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine

C11H15NO — CID 126733803

IUPAC5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
SMILESC/C=C\C1=CC=CC2OCCNC12
InChIInChI=1S/C11H15NO/c1-2-4-9-5-3-6-10-11(9)12-7-8-13-10/h2-6,10-12H,7-8H2,1H3/b4-2-
InChIKeySGIZYUSWBMVSGG-RQOWECAXSA-N
MW177.25 g/mol
LogP1.42
Rot. Bonds1

About 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine

5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine (PubChem CID 126733803) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
PubChem CID126733803
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
SMILESC/C=C\C1=CC=CC2OCCNC12
InChIInChI=1S/C11H15NO/c1-2-4-9-5-3-6-10-11(9)12-7-8-13-10/h2-6,10-12H,7-8H2,1H3/b4-2-
InChIKeySGIZYUSWBMVSGG-RQOWECAXSA-N
XLogP1.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine (CID 126733803) is 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine is C/C=C\C1=CC=CC2OCCNC12.
What is the InChIKey of 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is SGIZYUSWBMVSGG-RQOWECAXSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-9-5-3-6-10-11(9)12-7-8-13-10/h2-6,10-12H,7-8H2,1H3/b4-2-.
What are the key properties of 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-prop-1-enyl]-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 126733803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).