(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide

C12H21NO3 — CID 139060377

IUPAC(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C)C
InChIInChI=1S/C12H21NO3/c1-10(2)12(9(15)13-3)6-4-5-11(7-12,8-14)16-10/h14H,4-8H2,1-3H3,(H,13,15)/t11-,12+/m1/s1
InChIKeyFWDPXPDBHONFOC-NEPJUHHUSA-N
MW227.30 g/mol
LogP0.83
Rot. Bonds2

About (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide

(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 139060377) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID139060377
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C)C
InChIInChI=1S/C12H21NO3/c1-10(2)12(9(15)13-3)6-4-5-11(7-12,8-14)16-10/h14H,4-8H2,1-3H3,(H,13,15)/t11-,12+/m1/s1
InChIKeyFWDPXPDBHONFOC-NEPJUHHUSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 139060377) is (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C)C.
What is the InChIKey of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is FWDPXPDBHONFOC-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)12(9(15)13-3)6-4-5-11(7-12,8-14)16-10/h14H,4-8H2,1-3H3,(H,13,15)/t11-,12+/m1/s1.
What are the key properties of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 139060377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).