2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine

C15H15NO — CID 143559566

IUPAC2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine
SMILESC/C=C\C1=C(/C=C\C)Oc2ccccc2C=N1
InChIInChI=1S/C15H15NO/c1-3-7-13-15(8-4-2)17-14-10-6-5-9-12(14)11-16-13/h3-11H,1-2H3/b7-3-,8-4-
InChIKeyJOZDSNXERHNOFA-VHOZIDCHSA-N
MW225.29 g/mol
LogP3.86
Rot. Bonds2

About 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine

2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine (PubChem CID 143559566) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine.

Molecular Properties

Compound Name2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine
PubChem CID143559566
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine
SMILESC/C=C\C1=C(/C=C\C)Oc2ccccc2C=N1
InChIInChI=1S/C15H15NO/c1-3-7-13-15(8-4-2)17-14-10-6-5-9-12(14)11-16-13/h3-11H,1-2H3/b7-3-,8-4-
InChIKeyJOZDSNXERHNOFA-VHOZIDCHSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-ditert-butyl-1,4-benzoxazepine
CID 58303883
ethane;3-methyl-2-[(Z)-prop-1-enyl]-4H-1,4-benzoxazine
CID 144936344
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297
CID 162382667
CID 162382667
3-methyl-2-[(Z)-prop-1-enyl]-N-prop-2-enyl-4,5-dihydro-1-benzoxepin-5-amine
CID 142889556
N-ethyl-N-methyl-2-prop-1-enylaniline
CID 173058466
3-[(E)-prop-1-enyl]-2H-chromen-2-ol
CID 146369233
2,3-bis(ethenyl)-1,4-benzodioxine;ethane
CID 144875800
(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene
CID 177470692
N-butyl-N-(2-phenyl-1,4-benzoxazepin-3-yl)methanesulfonamide
CID 138984083
4-(4-bromophenyl)-3-ethenyl-2-[(Z)-prop-1-enyl]-1,4-benzoxazine
CID 139317797
2-[(E)-prop-1-enyl]-1,3,2-benzodioxaborole
CID 20725514

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine?
The IUPAC name of 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine (CID 143559566) is 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine.
What is the SMILES notation for 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine?
The canonical SMILES for 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine is C/C=C\C1=C(/C=C\C)Oc2ccccc2C=N1.
What is the InChIKey of 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine?
The InChIKey is JOZDSNXERHNOFA-VHOZIDCHSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-7-13-15(8-4-2)17-14-10-6-5-9-12(14)11-16-13/h3-11H,1-2H3/b7-3-,8-4-.
What are the key properties of 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine?
2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine has a molecular weight of 225.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(Z)-prop-1-enyl]-1,4-benzoxazepine is sourced from PubChem (CID 143559566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).