cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

C13H21NO — CID 171939010

IUPACcyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)C1CC1)C2
InChIInChI=1S/C13H21NO/c1-14-11-3-2-4-12(14)8-10(7-11)13(15)9-5-6-9/h9-12H,2-8H2,1H3
InChIKeyLQPRSWQAJODBEC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds2

About cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171939010) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171939010
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)C1CC1)C2
InChIInChI=1S/C13H21NO/c1-14-11-3-2-4-12(14)8-10(7-11)13(15)9-5-6-9/h9-12H,2-8H2,1H3
InChIKeyLQPRSWQAJODBEC-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171939010) is cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is CN1C2CCCC1CC(C(=O)C1CC1)C2.
What is the InChIKey of cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is LQPRSWQAJODBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-11-3-2-4-12(14)8-10(7-11)13(15)9-5-6-9/h9-12H,2-8H2,1H3.
What are the key properties of cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171939010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).