9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

C14H24N2O — CID 106021072

IUPAC9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1CCCC1CN1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H24N2O/c1-15-7-3-6-13(15)10-16-11-4-2-5-12(16)9-14(17)8-11/h11-13H,2-10H2,1H3
InChIKeyVMYOPCMNVDSVQV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds2

About 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 106021072) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID106021072
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1CCCC1CN1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H24N2O/c1-15-7-3-6-13(15)10-16-11-4-2-5-12(16)9-14(17)8-11/h11-13H,2-10H2,1H3
InChIKeyVMYOPCMNVDSVQV-UHFFFAOYSA-N
XLogP1.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(1-methylpiperidin-4-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 114516711
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114137824
9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62714644
4-[(1-methylpyrrolidin-2-yl)methyl]-1,4-diazepan-5-one
CID 115100457
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821
2-(cyclobutylmethyl)-1-methylpyrrolidine
CID 162366300
3-ethyl-2-[(1-methylpiperidin-2-yl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923195
1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
CID 106021248
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
CID 165482076
9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 106421134

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 106021072) is 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is CN1CCCC1CN1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is VMYOPCMNVDSVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15-7-3-6-13(15)10-16-11-4-2-5-12(16)9-14(17)8-11/h11-13H,2-10H2,1H3.
What are the key properties of 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 236.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 106021072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).