3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione

C15H13NO2 — CID 143318864

IUPAC3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
SMILESC=Cc1c(/C=C\C)c(=O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H13NO2/c1-3-7-11-10(4-2)15(18)16-13-9-6-5-8-12(13)14(11)17/h3-9H,2H2,1H3,(H,16,18)/b7-3-
InChIKeyATTGGJPRHADRAY-CLTKARDFSA-N
MW239.27 g/mol
LogP2.56
Rot. Bonds2

About 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione

3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione (PubChem CID 143318864) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
PubChem CID143318864
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
SMILESC=Cc1c(/C=C\C)c(=O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H13NO2/c1-3-7-11-10(4-2)15(18)16-13-9-6-5-8-12(13)14(11)17/h3-9H,2H2,1H3,(H,16,18)/b7-3-
InChIKeyATTGGJPRHADRAY-CLTKARDFSA-N
XLogP2.56
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
CID 145241491
4-ethenyl-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 142254198
10H-acridin-9-one;ethane
CID 91525380
1-[2-[(Z)-prop-1-enyl]-1H-indol-3-yl]ethenol
CID 143138999
10H-acridin-9-one
CID 22753806
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole
CID 144821210
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
CID 142398582
2-prop-2-enoxy-1-[(E)-prop-1-enyl]-9H-carbazole
CID 102292352
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione?
The IUPAC name of 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione (CID 143318864) is 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione.
What is the SMILES notation for 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione?
The canonical SMILES for 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione is C=Cc1c(/C=C\C)c(=O)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione?
The InChIKey is ATTGGJPRHADRAY-CLTKARDFSA-N. The full InChI is InChI=1S/C15H13NO2/c1-3-7-11-10(4-2)15(18)16-13-9-6-5-8-12(13)14(11)17/h3-9H,2H2,1H3,(H,16,18)/b7-3-.
What are the key properties of 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione?
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione has a molecular weight of 239.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione is sourced from PubChem (CID 143318864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).