3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one

C15H16N2O — CID 70880376

IUPAC3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(c1)C(=O)N(C)Cc1c(C)ccn1-2
InChIInChI=1S/C15H16N2O/c1-10-4-5-13-12(8-10)15(18)16(3)9-14-11(2)6-7-17(13)14/h4-8H,9H2,1-3H3
InChIKeyJZWGWPHOUMIBII-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.68
Rot. Bonds

About 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one

3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one (PubChem CID 70880376) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
PubChem CID70880376
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(c1)C(=O)N(C)Cc1c(C)ccn1-2
InChIInChI=1S/C15H16N2O/c1-10-4-5-13-12(8-10)15(18)16(3)9-14-11(2)6-7-17(13)14/h4-8H,9H2,1-3H3
InChIKeyJZWGWPHOUMIBII-UHFFFAOYSA-N
XLogP2.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?
The IUPAC name of 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one (CID 70880376) is 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one is Cc1ccc2c(c1)C(=O)N(C)Cc1c(C)ccn1-2.
What is the InChIKey of 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?
The InChIKey is JZWGWPHOUMIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-4-5-13-12(8-10)15(18)16(3)9-14-11(2)6-7-17(13)14/h4-8H,9H2,1-3H3.
What are the key properties of 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?
3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one has a molecular weight of 240.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 70880376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).