1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

C16H19N3O — CID 20515455

IUPAC1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
SMILESCc1cn(C)c2c1Nc1ccccc1N(C(C)C)C2=O
InChIInChI=1S/C16H19N3O/c1-10(2)19-13-8-6-5-7-12(13)17-14-11(3)9-18(4)15(14)16(19)20/h5-10,17H,1-4H3
InChIKeySXDSKPONHXTJKI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.45
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (PubChem CID 20515455) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
PubChem CID20515455
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
SMILESCc1cn(C)c2c1Nc1ccccc1N(C(C)C)C2=O
InChIInChI=1S/C16H19N3O/c1-10(2)19-13-8-6-5-7-12(13)17-14-11(3)9-18(4)15(14)16(19)20/h5-10,17H,1-4H3
InChIKeySXDSKPONHXTJKI-UHFFFAOYSA-N
XLogP3.45
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(2-bromopropanoyl)-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
CID 20515505
1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
CID 20515450
10-(2-bromoacetyl)-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
CID 20515476
1-methyl-5-propan-2-yl-1,3,5-benzotriazepine-2,4-dione
CID 141365224
10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
CID 20515492
4,7-dimethyl-2-propan-2-ylisoindole-1,3-dione
CID 176633116
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
5-tert-butyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 21029392
10-(2-amino-2-methylpropanoyl)-1-methyl-3-propan-2-yl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549963
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
3,3-dimethyl-4-[2-(2-methylphenyl)sulfanylpropanoyl]-1H-quinoxalin-2-one
CID 60561671
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (CID 20515455) is 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is Cc1cn(C)c2c1Nc1ccccc1N(C(C)C)C2=O.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The InChIKey is SXDSKPONHXTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(2)19-13-8-6-5-7-12(13)17-14-11(3)9-18(4)15(14)16(19)20/h5-10,17H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one has a molecular weight of 269.35 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 20515455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).