pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C15H26N2O — CID 63006842

IUPACpyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)C2CCNC2)C1
InChIInChI=1S/C15H26N2O/c1-14(2)6-12-7-15(3,9-14)10-17(12)13(18)11-4-5-16-8-11/h11-12,16H,4-10H2,1-3H3
InChIKeyBZSIJFQPNWCFDK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds1

About pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 63006842) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID63006842
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Namepyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)C2CCNC2)C1
InChIInChI=1S/C15H26N2O/c1-14(2)6-12-7-15(3,9-14)10-17(12)13(18)11-4-5-16-8-11/h11-12,16H,4-10H2,1-3H3
InChIKeyBZSIJFQPNWCFDK-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 63006842) is pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is CC1(C)CC2CC(C)(CN2C(=O)C2CCNC2)C1.
What is the InChIKey of pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is BZSIJFQPNWCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2)6-12-7-15(3,9-14)10-17(12)13(18)11-4-5-16-8-11/h11-12,16H,4-10H2,1-3H3.
What are the key properties of pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 63006842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).