4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one

C14H17N3O2 — CID 65365974

IUPAC4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)[C@@H]2Cc3ccccc3N2)CCCN1
InChIInChI=1S/C14H17N3O2/c18-13-9-17(7-3-6-15-13)14(19)12-8-10-4-1-2-5-11(10)16-12/h1-2,4-5,12,16H,3,6-9H2,(H,15,18)/t12-/m0/s1
InChIKeyBBPDVCIOJNZGOF-LBPRGKRZSA-N
MW259.31 g/mol
LogP0.37
Rot. Bonds1

About 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one

4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one (PubChem CID 65365974) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one
PubChem CID65365974
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)[C@@H]2Cc3ccccc3N2)CCCN1
InChIInChI=1S/C14H17N3O2/c18-13-9-17(7-3-6-15-13)14(19)12-8-10-4-1-2-5-11(10)16-12/h1-2,4-5,12,16H,3,6-9H2,(H,15,18)/t12-/m0/s1
InChIKeyBBPDVCIOJNZGOF-LBPRGKRZSA-N
XLogP0.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-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 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one (CID 65365974) is 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one is O=C1CN(C(=O)[C@@H]2Cc3ccccc3N2)CCCN1.
What is the InChIKey of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one?
The InChIKey is BBPDVCIOJNZGOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-9-17(7-3-6-15-13)14(19)12-8-10-4-1-2-5-11(10)16-12/h1-2,4-5,12,16H,3,6-9H2,(H,15,18)/t12-/m0/s1.
What are the key properties of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one?
4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-1,4-diazepan-2-one is sourced from PubChem (CID 65365974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).