1-(adamantane-1-carbonyl)pyrrolidin-2-one

C15H21NO2 — CID 10800526

IUPAC1-(adamantane-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21NO2/c17-13-2-1-3-16(13)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2
InChIKeyHGLVVWKWAQKMAH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds1

About 1-(adamantane-1-carbonyl)pyrrolidin-2-one

1-(adamantane-1-carbonyl)pyrrolidin-2-one (PubChem CID 10800526) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)pyrrolidin-2-one
PubChem CID10800526
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(adamantane-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21NO2/c17-13-2-1-3-16(13)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2
InChIKeyHGLVVWKWAQKMAH-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(adamantane-1-carbonyl)pyrrolidin-2-one (CID 10800526) is 1-(adamantane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(adamantane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(adamantane-1-carbonyl)pyrrolidin-2-one is O=C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HGLVVWKWAQKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-13-2-1-3-16(13)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2.
What are the key properties of 1-(adamantane-1-carbonyl)pyrrolidin-2-one?
1-(adamantane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 10800526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).