2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

C15H26N2O2 — CID 66053359

IUPAC2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)CC1CC(O)CN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O2/c1-16(2)8-12-7-13(18)9-17(12)15(19)14-6-10-3-4-11(14)5-10/h10-14,18H,3-9H2,1-2H3
InChIKeyOPKAANKOXDIHOC-UHFFFAOYSA-N
MW266.38 g/mol
LogP0.95
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66053359) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID66053359
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)CC1CC(O)CN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O2/c1-16(2)8-12-7-13(18)9-17(12)15(19)14-6-10-3-4-11(14)5-10/h10-14,18H,3-9H2,1-2H3
InChIKeyOPKAANKOXDIHOC-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (CID 66053359) is 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is CN(C)CC1CC(O)CN1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is OPKAANKOXDIHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16(2)8-12-7-13(18)9-17(12)15(19)14-6-10-3-4-11(14)5-10/h10-14,18H,3-9H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 266.38 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66053359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).