(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone

C11H19N3O — CID 146626222

IUPAC(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CC2CC(C1)N2C(=O)N1CCCC1
InChIInChI=1S/C11H19N3O/c1-12-7-9-6-10(8-12)14(9)11(15)13-4-2-3-5-13/h9-10H,2-8H2,1H3
InChIKeyQDSLRHXYVFJKAF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.59
Rot. Bonds

About (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone

(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 146626222) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID146626222
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CC2CC(C1)N2C(=O)N1CCCC1
InChIInChI=1S/C11H19N3O/c1-12-7-9-6-10(8-12)14(9)11(15)13-4-2-3-5-13/h9-10H,2-8H2,1H3
InChIKeyQDSLRHXYVFJKAF-UHFFFAOYSA-N
XLogP0.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone (CID 146626222) is (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone is CN1CC2CC(C1)N2C(=O)N1CCCC1.
What is the InChIKey of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is QDSLRHXYVFJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-7-9-6-10(8-12)14(9)11(15)13-4-2-3-5-13/h9-10H,2-8H2,1H3.
What are the key properties of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 209.29 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 146626222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).