(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate

C15H21NO3 — CID 123232829

IUPAC(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate
SMILESO=C1CCCN1OC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21NO3/c17-13-2-1-3-16(13)19-14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2
InChIKeyJWNXMZHKEKGCNZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds2

About (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate

(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate (PubChem CID 123232829) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate
PubChem CID123232829
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate
SMILESO=C1CCCN1OC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21NO3/c17-13-2-1-3-16(13)19-14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2
InChIKeyJWNXMZHKEKGCNZ-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(adamantane-1-carbonyl)piperidin-2-one
CID 153488108
(2-oxopyrrolidin-1-yl) hydrogen carbonate
CID 57473687
(cycloheptylideneamino) adamantane-1-carboxylate
CID 89381800
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
CID 74030455
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528272
1-O-acetyl 4-O-(2-oxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 88748317
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] adamantane-1-carboxylate
CID 7071247
(2-oxopyrrolidin-1-yl) but-3-enoate
CID 68874665
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55758315
[5-(adamantane-1-carbonyloxy)-2,5-dimethylhexan-2-yl] adamantane-1-carboxylate
CID 15476348
1-adamantyl adamantane-1-carboperoxoate
CID 10969590
1-adamantyl(azepan-1-yl)methanone
CID 2838808

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate?
The IUPAC name of (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate (CID 123232829) is (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate is O=C1CCCN1OC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate?
The InChIKey is JWNXMZHKEKGCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-2-1-3-16(13)19-14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2.
What are the key properties of (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate?
(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) adamantane-1-carboxylate is sourced from PubChem (CID 123232829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).