cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone

C14H23NO2 — CID 171574735

IUPACcyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
SMILESCC(C)C1CC2COCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C14H23NO2/c1-9(2)11-5-12-7-17-8-13(6-11)15(12)14(16)10-3-4-10/h9-13H,3-8H2,1-2H3
InChIKeyXXDBWGMLNWLFTB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.06
Rot. Bonds2

About cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone

cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone (PubChem CID 171574735) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
PubChem CID171574735
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namecyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
SMILESCC(C)C1CC2COCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C14H23NO2/c1-9(2)11-5-12-7-17-8-13(6-11)15(12)14(16)10-3-4-10/h9-13H,3-8H2,1-2H3
InChIKeyXXDBWGMLNWLFTB-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 126995610
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl(piperidin-3-yl)methanone
CID 121201235
cyclopropyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171939019
ethane;(4-hydroxycyclohexyl)-(3-propan-2-ylazetidin-1-yl)methanone
CID 156828920
3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
2-(methylamino)-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 121201228
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
CID 122269046
2-bromo-3-methyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 164661059
azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 164661076

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
The IUPAC name of cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone (CID 171574735) is cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone.
What is the SMILES notation for cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
The canonical SMILES for cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone is CC(C)C1CC2COCC(C1)N2C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
The InChIKey is XXDBWGMLNWLFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)11-5-12-7-17-8-13(6-11)15(12)14(16)10-3-4-10/h9-13H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone is sourced from PubChem (CID 171574735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).