1-(1-adamantylmethyl)pyrrolidin-2-one

C15H23NO — CID 4912751

IUPAC1-(1-adamantylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO/c17-14-2-1-3-16(14)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2
InChIKeyWKGFLDXBABFMNH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.83
Rot. Bonds2

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

1-(1-adamantylmethyl)pyrrolidin-2-one (PubChem CID 4912751) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-adamantylmethyl)pyrrolidin-2-one
PubChem CID4912751
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(1-adamantylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO/c17-14-2-1-3-16(14)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2
InChIKeyWKGFLDXBABFMNH-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-adamantylmethyl)pyrrolidin-2-one (CID 4912751) is 1-(1-adamantylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-adamantylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-adamantylmethyl)pyrrolidin-2-one is O=C1CCCN1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)pyrrolidin-2-one?
The InChIKey is WKGFLDXBABFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-14-2-1-3-16(14)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2.
What are the key properties of 1-(1-adamantylmethyl)pyrrolidin-2-one?
1-(1-adamantylmethyl)pyrrolidin-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 4912751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).