1-adamantyl(pyrrolidin-1-yl)methanone

C15H23NO — CID 2741656

IUPAC1-adamantyl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
InChIKeyRVXVNLMWQYKNHL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.83
Rot. Bonds1

About 1-adamantyl(pyrrolidin-1-yl)methanone

1-adamantyl(pyrrolidin-1-yl)methanone (PubChem CID 2741656) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-adamantyl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(pyrrolidin-1-yl)methanone
PubChem CID2741656
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-adamantyl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
InChIKeyRVXVNLMWQYKNHL-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

Adamantan-1-yl-piperidin-1-yl-methanone
CID 584509
3,5-Dimethyladamantanyl pyrrolidinyl ketone
CID 6464652
1-[2-(1-Adamantyl)ethyl]pyrrolidin-2-one
CID 4912750
(3-Chloro-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 3827772
N,N-Diisopropyl-1-adamantanecarboxamide
CID 369222
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
3-chloro-N,N-diethyladamantane-1-carboxamide
CID 567974
1-(Tricyclo[4.3.1.1~3,8~]undec-1-ylcarbonyl)pyrrolidine
CID 2817988
3-bromo-N,N-diethyladamantane-1-carboxamide
CID 3306503
1,1'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyldicarbonyl)dipyrrolidine
CID 2887737
1-(1-Adamantyl)pyrrolidin-2-one
CID 3010156

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1-adamantyl(pyrrolidin-1-yl)methanone (CID 2741656) is 1-adamantyl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl(pyrrolidin-1-yl)methanone is O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(pyrrolidin-1-yl)methanone?
The InChIKey is RVXVNLMWQYKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2.
What are the key properties of 1-adamantyl(pyrrolidin-1-yl)methanone?
1-adamantyl(pyrrolidin-1-yl)methanone has a molecular weight of 233.35 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 2741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).