5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine

C10H14N2 — CID 143421165

IUPAC5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine
SMILESC=CC1=C(C=C)CNC(C)=NC1
InChIInChI=1S/C10H14N2/c1-4-9-6-11-8(3)12-7-10(9)5-2/h4-5H,1-2,6-7H2,3H3,(H,11,12)
InChIKeyLPYSKJKCRWTDRL-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.68
Rot. Bonds2

About 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine

5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine (PubChem CID 143421165) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine
PubChem CID143421165
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine
SMILESC=CC1=C(C=C)CNC(C)=NC1
InChIInChI=1S/C10H14N2/c1-4-9-6-11-8(3)12-7-10(9)5-2/h4-5H,1-2,6-7H2,3H3,(H,11,12)
InChIKeyLPYSKJKCRWTDRL-UHFFFAOYSA-N
XLogP1.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide
CID 90248676
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane
CID 143421164
(2Z)-N',4-dimethyl-N-propylpenta-2,4-dienimidamide
CID 143692357
N,6-diethyl-2H-azepin-7-amine;ethene
CID 143712976
2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-4,5-dihydro-1H-imidazole
CID 143769866
(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane
CID 144655472
2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole
CID 142843949
(Z)-N-ethyl-N'-methyl-5-methylidenehept-3-enimidamide
CID 143660702
N,6-diethyl-2H-azepin-7-amine
CID 143712977

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine?
The IUPAC name of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine (CID 143421165) is 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine.
What is the SMILES notation for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine?
The canonical SMILES for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine is C=CC1=C(C=C)CNC(C)=NC1.
What is the InChIKey of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine?
The InChIKey is LPYSKJKCRWTDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9-6-11-8(3)12-7-10(9)5-2/h4-5H,1-2,6-7H2,3H3,(H,11,12).
What are the key properties of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine?
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine has a molecular weight of 162.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine is sourced from PubChem (CID 143421165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).