9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one

C15H25NO2 — CID 114097720

IUPAC9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCCOCC1CC1
InChIInChI=1S/C15H25NO2/c17-15-9-13-3-1-4-14(10-15)16(13)7-2-8-18-11-12-5-6-12/h12-14H,1-11H2
InChIKeyLQFVJATZEZHTSS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds6

About 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 114097720) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID114097720
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCCOCC1CC1
InChIInChI=1S/C15H25NO2/c17-15-9-13-3-1-4-14(10-15)16(13)7-2-8-18-11-12-5-6-12/h12-14H,1-11H2
InChIKeyLQFVJATZEZHTSS-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 114097720) is 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2CCCOCC1CC1.
What is the InChIKey of 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is LQFVJATZEZHTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-15-9-13-3-1-4-14(10-15)16(13)7-2-8-18-11-12-5-6-12/h12-14H,1-11H2.
What are the key properties of 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 114097720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).