8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine

C13H19NO — CID 143698493

IUPAC8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
SMILESC=CC1=C(/C=C\C)CCC2NCCOC12
InChIInChI=1S/C13H19NO/c1-3-5-10-6-7-12-13(11(10)4-2)15-9-8-14-12/h3-5,12-14H,2,6-9H2,1H3/b5-3-
InChIKeyDEUFQEZGSPZYLB-HYXAFXHYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds2

About 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine

8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine (PubChem CID 143698493) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
PubChem CID143698493
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
SMILESC=CC1=C(/C=C\C)CCC2NCCOC12
InChIInChI=1S/C13H19NO/c1-3-5-10-6-7-12-13(11(10)4-2)15-9-8-14-12/h3-5,12-14H,2,6-9H2,1H3/b5-3-
InChIKeyDEUFQEZGSPZYLB-HYXAFXHYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine?
The IUPAC name of 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine (CID 143698493) is 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine is C=CC1=C(/C=C\C)CCC2NCCOC12.
What is the InChIKey of 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine?
The InChIKey is DEUFQEZGSPZYLB-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-10-6-7-12-13(11(10)4-2)15-9-8-14-12/h3-5,12-14H,2,6-9H2,1H3/b5-3-.
What are the key properties of 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine?
8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine has a molecular weight of 205.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 143698493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).