(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C17H27NO2 — CID 79423039

IUPAC(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CC[C@@H](O)C1)(C3)C2
InChIInChI=1S/C17H27NO2/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)14(20)18-4-3-13(19)8-18/h12-13,19H,3-11H2,1-2H3/t12?,13-,15?,16?,17?/m1/s1
InChIKeyHIYUWYMBXXQDDM-BOSJHMNHSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 79423039) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID79423039
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CC[C@@H](O)C1)(C3)C2
InChIInChI=1S/C17H27NO2/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)14(20)18-4-3-13(19)8-18/h12-13,19H,3-11H2,1-2H3/t12?,13-,15?,16?,17?/m1/s1
InChIKeyHIYUWYMBXXQDDM-BOSJHMNHSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 79423039) is (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CC12CC3CC(C)(C1)CC(C(=O)N1CC[C@@H](O)C1)(C3)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is HIYUWYMBXXQDDM-BOSJHMNHSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)14(20)18-4-3-13(19)8-18/h12-13,19H,3-11H2,1-2H3/t12?,13-,15?,16?,17?/m1/s1.
What are the key properties of (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 277.41 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 79423039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).