5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one

C11H14N2O — CID 143848949

IUPAC5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
SMILESC=CC1=C(C=C)C(=O)N(C)CC(C)=N1
InChIInChI=1S/C11H14N2O/c1-5-9-10(6-2)12-8(3)7-13(4)11(9)14/h5-6H,1-2,7H2,3-4H3
InChIKeyWIIZJIOVTWGQRQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds2

About 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one

5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one (PubChem CID 143848949) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one.

Molecular Properties

Compound Name5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
PubChem CID143848949
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
SMILESC=CC1=C(C=C)C(=O)N(C)CC(C)=N1
InChIInChI=1S/C11H14N2O/c1-5-9-10(6-2)12-8(3)7-13(4)11(9)14/h5-6H,1-2,7H2,3-4H3
InChIKeyWIIZJIOVTWGQRQ-UHFFFAOYSA-N
XLogP1.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
5-Ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145293390
Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
(6E)-1-methyl-6-(2-methyliminopropylidene)-2,3-dihydroazepin-7-one
CID 155037653
ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 169120648
3-Ethenyl-4-(methylideneamino)-1-propan-2-ylpyridin-2-one
CID 171849477
3-Ethenyl-1-ethyl-4-(methylideneamino)pyridin-2-one
CID 171850101
5-Ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394194

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one?
The IUPAC name of 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one (CID 143848949) is 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one.
What is the SMILES notation for 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one?
The canonical SMILES for 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one is C=CC1=C(C=C)C(=O)N(C)CC(C)=N1.
What is the InChIKey of 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one?
The InChIKey is WIIZJIOVTWGQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-9-10(6-2)12-8(3)7-13(4)11(9)14/h5-6H,1-2,7H2,3-4H3.
What are the key properties of 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one?
5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one has a molecular weight of 190.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one is sourced from PubChem (CID 143848949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).