(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene

C13H10N2O2 — CID 101124838

IUPAC(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
SMILESc1coc(C2=NN=C(c3ccco3)[C@@H]3C[C@H]23)c1
InChIInChI=1S/C13H10N2O2/c1-3-10(16-5-1)12-8-7-9(8)13(15-14-12)11-4-2-6-17-11/h1-6,8-9H,7H2/t8-,9+
InChIKeyMCZUYDYFYNDWIU-DTORHVGOSA-N
MW226.24 g/mol
LogP2.72
Rot. Bonds2

About (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene

(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 101124838) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
PubChem CID101124838
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
SMILESc1coc(C2=NN=C(c3ccco3)[C@@H]3C[C@H]23)c1
InChIInChI=1S/C13H10N2O2/c1-3-10(16-5-1)12-8-7-9(8)13(15-14-12)11-4-2-6-17-11/h1-6,8-9H,7H2/t8-,9+
InChIKeyMCZUYDYFYNDWIU-DTORHVGOSA-N
XLogP2.72
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene 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;2-(furan-2-yl)furan
CID 161366084
(3aR,6aR)-2,5-bis(furan-2-yl)-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 27126590
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
(1S)-1-[(1R,2S)-2-(furan-2-yl)cyclopropyl]ethanamine
CID 29079255
6-cyclopropyl-2-(furan-2-yl)pyrimidin-4-amine
CID 63353570
2-(furan-2-yl)-1,3,5-triazine
CID 54453407
3-(furan-2-yl)-1,2-oxazole
CID 11147745
2-cyclopenta-1,4-dien-1-ylfuran;zirconium;dihydrochloride
CID 175334849
4-(furan-2-yl)benzoyl chloride
CID 7537504
2-(2-cyclopropylphenyl)furan
CID 168526916
5-(furan-2-yl)-1,3,4-selenadiazol-2-amine
CID 166447374
[2-(furan-2-yl)cyclopenta-2,4-dien-1-yl]-trimethylsilane
CID 175924863

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene (CID 101124838) is (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene is c1coc(C2=NN=C(c3ccco3)[C@@H]3C[C@H]23)c1.
What is the InChIKey of (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is MCZUYDYFYNDWIU-DTORHVGOSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-3-10(16-5-1)12-8-7-9(8)13(15-14-12)11-4-2-6-17-11/h1-6,8-9H,7H2/t8-,9+.
What are the key properties of (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene?
(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 226.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 101124838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).