1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one

C7H10N2O2 — CID 13130980

IUPAC1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
SMILESO=C1NCCNC2=C1CCO2
InChIInChI=1S/C7H10N2O2/c10-6-5-1-4-11-7(5)9-3-2-8-6/h9H,1-4H2,(H,8,10)
InChIKeyXYXAAETUMKFSRI-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.66
Rot. Bonds

About 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one

1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one (PubChem CID 13130980) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
PubChem CID13130980
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
SMILESO=C1NCCNC2=C1CCO2
InChIInChI=1S/C7H10N2O2/c10-6-5-1-4-11-7(5)9-3-2-8-6/h9H,1-4H2,(H,8,10)
InChIKeyXYXAAETUMKFSRI-UHFFFAOYSA-N
XLogP-0.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one
CID 13130988
1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone
CID 594066
3,4,5,6,7,8-hexahydro-2H-isoquinolin-1-one
CID 20504630
imidazolidin-2-one;hydrochloride
CID 18704729
6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
CID 13130986
oxolan-2-one;yttrium
CID 157257098
1,4,9,12-tetrazacyclohexadecane-5,8,13,16-tetrone
CID 12581071
formaldehyde;imidazolidin-2-one
CID 69129198
7-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-8-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 167925012
7,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59548550
5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 176510971
1,3-oxazolidin-2-one;stannane
CID 173239925

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
The IUPAC name of 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one (CID 13130980) is 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
The canonical SMILES for 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one is O=C1NCCNC2=C1CCO2.
What is the InChIKey of 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
The InChIKey is XYXAAETUMKFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-5-1-4-11-7(5)9-3-2-8-6/h9H,1-4H2,(H,8,10).
What are the key properties of 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one has a molecular weight of 154.17 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 13130980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).