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

C12H13ClN2O2 — CID 79295779

IUPAC7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
SMILESCN1c2ccc(Cl)cc2NC(=O)C2COCC21
InChIInChI=1S/C12H13ClN2O2/c1-15-10-3-2-7(13)4-9(10)14-12(16)8-5-17-6-11(8)15/h2-4,8,11H,5-6H2,1H3,(H,14,16)
InChIKeySYVAVZQJEFRRRP-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.74
Rot. Bonds

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

7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 79295779) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID79295779
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
SMILESCN1c2ccc(Cl)cc2NC(=O)C2COCC21
InChIInChI=1S/C12H13ClN2O2/c1-15-10-3-2-7(13)4-9(10)14-12(16)8-5-17-6-11(8)15/h2-4,8,11H,5-6H2,1H3,(H,14,16)
InChIKeySYVAVZQJEFRRRP-UHFFFAOYSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one (CID 79295779) is 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one is CN1c2ccc(Cl)cc2NC(=O)C2COCC21.
What is the InChIKey of 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is SYVAVZQJEFRRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-10-3-2-7(13)4-9(10)14-12(16)8-5-17-6-11(8)15/h2-4,8,11H,5-6H2,1H3,(H,14,16).
What are the key properties of 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 252.70 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 79295779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).