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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Related Compounds

cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052618
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 66053156
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 77111561
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 66054462

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).