4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one

C13H21N3O2 — CID 65366413

IUPAC4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one
SMILESNC1C2CCC(C2)C1C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C13H21N3O2/c14-12-9-3-2-8(6-9)11(12)13(18)16-5-1-4-15-10(17)7-16/h8-9,11-12H,1-7,14H2,(H,15,17)
InChIKeyQGXKWCARVAHJHS-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.29
Rot. Bonds1

About 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one

4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one (PubChem CID 65366413) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one
PubChem CID65366413
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one
SMILESNC1C2CCC(C2)C1C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C13H21N3O2/c14-12-9-3-2-8(6-9)11(12)13(18)16-5-1-4-15-10(17)7-16/h8-9,11-12H,1-7,14H2,(H,15,17)
InChIKeyQGXKWCARVAHJHS-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminobicyclo[2.2.1]heptane-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-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one (CID 65366413) is 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one is NC1C2CCC(C2)C1C(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one?
The InChIKey is QGXKWCARVAHJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-12-9-3-2-8(6-9)11(12)13(18)16-5-1-4-15-10(17)7-16/h8-9,11-12H,1-7,14H2,(H,15,17).
What are the key properties of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one?
4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one has a molecular weight of 251.33 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65366413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).