2-(1-adamantyl)-1-pyrrolidin-1-ylethanone

C16H25NO — CID 2835983

IUPAC2-(1-adamantyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1
InChIInChI=1S/C16H25NO/c18-15(17-3-1-2-4-17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2
InChIKeyPCDBBNAUNRHBLR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.22
Rot. Bonds2

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

2-(1-adamantyl)-1-pyrrolidin-1-ylethanone (PubChem CID 2835983) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-pyrrolidin-1-ylethanone
PubChem CID2835983
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(1-adamantyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1
InChIInChI=1S/C16H25NO/c18-15(17-3-1-2-4-17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2
InChIKeyPCDBBNAUNRHBLR-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Adamantan-1-yl-piperidin-1-yl-methanone
CID 584509
Adamantan-1-yl(pyrrolidin-1-yl)methanone
CID 2741656
1-(Adamantane-1-carbonyl)-4-ethylpiperazine
CID 4348598
1-(Adamantane-1-carbonyl)-4-methylpiperazine
CID 2827468
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
1-[2-(1-Adamantyl)ethyl]pyrrolidin-2-one
CID 4912750
(3-Chloro-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 3827772
Pyrrolidin-1-yl-tricyclo[4.3.1.1*3,8*]undec-3-yl-methanone
CID 3110951
4-Azatricyclo[5.2.2.02,6]undecan-4-yl(cyclohexyl)methanone
CID 145952000
1-(Tricyclo[4.3.1.1~3,8~]undec-1-ylcarbonyl)pyrrolidine
CID 2817988
1,1'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyldicarbonyl)dipyrrolidine
CID 2887737
2-(Adamantan-1-yl)-1-(4-ethylpiperazin-1-yl)ethan-1-one
CID 25236186

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone (CID 2835983) is 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone is O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1.
What is the InChIKey of 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is PCDBBNAUNRHBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-15(17-3-1-2-4-17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2.
What are the key properties of 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone?
2-(1-adamantyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 247.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2835983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).