2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C17H27NO2 — CID 3881926

IUPAC2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1CO
InChIInChI=1S/C17H27NO2/c19-11-15-2-1-3-18(15)16(20)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-11H2
InChIKeySNUACSMBHNZQMN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds3

About 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 3881926) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID3881926
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1CO
InChIInChI=1S/C17H27NO2/c19-11-15-2-1-3-18(15)16(20)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-11H2
InChIKeySNUACSMBHNZQMN-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 3881926) is 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1CO.
What is the InChIKey of 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SNUACSMBHNZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-11-15-2-1-3-18(15)16(20)10-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-11H2.
What are the key properties of 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 3881926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).