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

C9H14N2O2 — CID 13130986

IUPAC6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
SMILESCC1OC2=C(C(=O)NCCN2)C1C
InChIInChI=1S/C9H14N2O2/c1-5-6(2)13-9-7(5)8(12)10-3-4-11-9/h5-6,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyFPRYDTUVMFPUKZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.03
Rot. Bonds

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

6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one (PubChem CID 13130986) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
PubChem CID13130986
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
SMILESCC1OC2=C(C(=O)NCCN2)C1C
InChIInChI=1S/C9H14N2O2/c1-5-6(2)13-9-7(5)8(12)10-3-4-11-9/h5-6,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyFPRYDTUVMFPUKZ-UHFFFAOYSA-N
XLogP-0.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one
CID 13130980
5,6-dimethyloxane-2,4-dione
CID 22962073
5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
7,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59548550
3,6-dimethyl-1,4-dioxane-2,5-dione;oxirane
CID 87489456
imidazolidin-2-one;methanol
CID 174820792
(4S,5R)-4,5-dimethyl-3-sulfinyloxolan-2-one
CID 11693946

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
The IUPAC name of 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one (CID 13130986) is 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
The canonical SMILES for 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one is CC1OC2=C(C(=O)NCCN2)C1C.
What is the InChIKey of 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
The InChIKey is FPRYDTUVMFPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-6(2)13-9-7(5)8(12)10-3-4-11-9/h5-6,11H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one?
6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one has a molecular weight of 182.22 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2,3,4,6,7-hexahydrofuro[2,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 13130986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).