3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one

C13H22N2O — CID 79642465

IUPAC3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one
SMILESCN1C2CCC1CN(C1CCC(=O)C1)CC2
InChIInChI=1S/C13H22N2O/c1-14-10-2-3-12(14)9-15(7-6-10)11-4-5-13(16)8-11/h10-12H,2-9H2,1H3
InChIKeyDYTWHKXYGRYZPN-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.28
Rot. Bonds1

About 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one

3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one (PubChem CID 79642465) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one
PubChem CID79642465
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one
SMILESCN1C2CCC1CN(C1CCC(=O)C1)CC2
InChIInChI=1S/C13H22N2O/c1-14-10-2-3-12(14)9-15(7-6-10)11-4-5-13(16)8-11/h10-12H,2-9H2,1H3
InChIKeyDYTWHKXYGRYZPN-UHFFFAOYSA-N
XLogP1.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one?
The IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one (CID 79642465) is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one?
The canonical SMILES for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one is CN1C2CCC1CN(C1CCC(=O)C1)CC2.
What is the InChIKey of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one?
The InChIKey is DYTWHKXYGRYZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-10-2-3-12(14)9-15(7-6-10)11-4-5-13(16)8-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one?
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-one is sourced from PubChem (CID 79642465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).