7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one

C13H16N2O2 — CID 79295420

IUPAC7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
SMILESCc1ccc2c(c1)NC(=O)C1COCC1N2C
InChIInChI=1S/C13H16N2O2/c1-8-3-4-11-10(5-8)14-13(16)9-6-17-7-12(9)15(11)2/h3-5,9,12H,6-7H2,1-2H3,(H,14,16)
InChIKeyWMICUDLZARAQTR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.40
Rot. Bonds

About 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one

7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 79295420) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID79295420
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
SMILESCc1ccc2c(c1)NC(=O)C1COCC1N2C
InChIInChI=1S/C13H16N2O2/c1-8-3-4-11-10(5-8)14-13(16)9-6-17-7-12(9)15(11)2/h3-5,9,12H,6-7H2,1-2H3,(H,14,16)
InChIKeyWMICUDLZARAQTR-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one (CID 79295420) is 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one is Cc1ccc2c(c1)NC(=O)C1COCC1N2C.
What is the InChIKey of 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is WMICUDLZARAQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-4-11-10(5-8)14-13(16)9-6-17-7-12(9)15(11)2/h3-5,9,12H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 232.28 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 79295420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).