1-(1-adamantyl)pyrrolidin-2-one

C14H21NO — CID 3010156

IUPAC1-(1-adamantyl)pyrrolidin-2-one
SMILESO=C1CCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NO/c16-13-2-1-3-15(13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9H2
InChIKeyMLSPGERYUBJGGP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds1

About 1-(1-adamantyl)pyrrolidin-2-one

1-(1-adamantyl)pyrrolidin-2-one (PubChem CID 3010156) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1-adamantyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-adamantyl)pyrrolidin-2-one
PubChem CID3010156
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(1-adamantyl)pyrrolidin-2-one
SMILESO=C1CCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NO/c16-13-2-1-3-15(13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9H2
InChIKeyMLSPGERYUBJGGP-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-adamantyl)pyrrolidin-2-one (CID 3010156) is 1-(1-adamantyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-adamantyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-adamantyl)pyrrolidin-2-one is O=C1CCCN1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)pyrrolidin-2-one?
The InChIKey is MLSPGERYUBJGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-13-2-1-3-15(13)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9H2.
What are the key properties of 1-(1-adamantyl)pyrrolidin-2-one?
1-(1-adamantyl)pyrrolidin-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)pyrrolidin-2-one is sourced from PubChem (CID 3010156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).