(1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C11H21NO — CID 129035511

IUPAC(1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCCC(C)(C)N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C11H21NO/c1-4-5-11(2,3)12-7-10-6-9(12)8-13-10/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyWMVPAWRKXCCHKS-UWVGGRQHSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds3

About (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

(1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 129035511) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID129035511
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCCC(C)(C)N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C11H21NO/c1-4-5-11(2,3)12-7-10-6-9(12)8-13-10/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyWMVPAWRKXCCHKS-UWVGGRQHSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 129035511) is (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is CCCC(C)(C)N1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is WMVPAWRKXCCHKS-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-11(2,3)12-7-10-6-9(12)8-13-10/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-(2-methylpentan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 129035511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).