4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one

C15H19N3O2 — CID 102889006

IUPAC4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C2Cc3ccccc3N2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-7-4-8-18(10-14(17)19)15(20)13-9-11-5-2-3-6-12(11)16-13/h2-3,5-6,13,16H,4,7-10H2,1H3
InChIKeyYCLBWBAHJDORKD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.71
Rot. Bonds1

About 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102889006) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102889006
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C2Cc3ccccc3N2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-7-4-8-18(10-14(17)19)15(20)13-9-11-5-2-3-6-12(11)16-13/h2-3,5-6,13,16H,4,7-10H2,1H3
InChIKeyYCLBWBAHJDORKD-UHFFFAOYSA-N
XLogP0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one
CID 65365974
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one
CID 107356256
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102889006) is 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)C2Cc3ccccc3N2)CC1=O.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is YCLBWBAHJDORKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-7-4-8-18(10-14(17)19)15(20)13-9-11-5-2-3-6-12(11)16-13/h2-3,5-6,13,16H,4,7-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indole-2-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102889006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).