1-adamantyl-(2-methylpyrrolidin-1-yl)methanone

C16H25NO — CID 110728183

IUPAC1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c1-11-3-2-4-17(11)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,2-10H2,1H3
InChIKeyCTRFYWFKSGROLE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds1

About 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone

1-adamantyl-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 110728183) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
PubChem CID110728183
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c1-11-3-2-4-17(11)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,2-10H2,1H3
InChIKeyCTRFYWFKSGROLE-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-(2-methylpiperidin-1-yl)methanone
CID 2896597
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
CID 112793031
(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide
CID 97060885
1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide
CID 55469391
(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
CID 178203118
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
1-adamantyl-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856249
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone (CID 110728183) is 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is CTRFYWFKSGROLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-3-2-4-17(11)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,2-10H2,1H3.
What are the key properties of 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone?
1-adamantyl-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110728183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).