2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane

C12H15N3 — CID 166089001

IUPAC2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane
SMILESC=Cc1ccc(N2CCNC3CC32)cn1
InChIInChI=1S/C12H15N3/c1-2-9-3-4-10(8-14-9)15-6-5-13-11-7-12(11)15/h2-4,8,11-13H,1,5-7H2
InChIKeyALZOPYDMQLDXEP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.28
Rot. Bonds2

About 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane

2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane (PubChem CID 166089001) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane
PubChem CID166089001
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane
SMILESC=Cc1ccc(N2CCNC3CC32)cn1
InChIInChI=1S/C12H15N3/c1-2-9-3-4-10(8-14-9)15-6-5-13-11-7-12(11)15/h2-4,8,11-13H,1,5-7H2
InChIKeyALZOPYDMQLDXEP-UHFFFAOYSA-N
XLogP1.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aR)-4-(6-chloro-3-pyridinyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 87137560
(4aS,8aS)-4-(4-fluorophenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675903
[1-(6-ethenyl-3-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 165400233
4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-3-fluorobenzonitrile
CID 177334969
4-(4-methylphenyl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
CID 117005448
(4aS,8aS)-4-(3,4-dimethylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675905
4-(4-methoxyphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571347
(4aS,8aR)-4-(4-methoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675892
(4aS,7aS)-4-(3,4-difluorophenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676069
(4aS,7aS)-4-(3,4-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676021
(3aR,7aS)-5-(6-chloro-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 87137256
5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 170048475

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane?
The IUPAC name of 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane (CID 166089001) is 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane?
The canonical SMILES for 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane is C=Cc1ccc(N2CCNC3CC32)cn1.
What is the InChIKey of 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane?
The InChIKey is ALZOPYDMQLDXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-9-3-4-10(8-14-9)15-6-5-13-11-7-12(11)15/h2-4,8,11-13H,1,5-7H2.
What are the key properties of 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane?
2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane has a molecular weight of 201.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenyl-3-pyridinyl)-2,5-diazabicyclo[4.1.0]heptane is sourced from PubChem (CID 166089001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).