1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone

C17H24N4O — CID 124727706

IUPAC1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@@H](n2nccn2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N4O/c22-16(20-4-1-15(11-20)21-18-2-3-19-21)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-3,12-15H,1,4-11H2/t12?,13?,14?,15-,17?/m1/s1
InChIKeySAWRHYCGJFVJSK-UZZMVUAXSA-N
MW300.41 g/mol
LogP2.27
Rot. Bonds2

About 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone

1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124727706) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124727706
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@@H](n2nccn2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N4O/c22-16(20-4-1-15(11-20)21-18-2-3-19-21)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-3,12-15H,1,4-11H2/t12?,13?,14?,15-,17?/m1/s1
InChIKeySAWRHYCGJFVJSK-UZZMVUAXSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-adamantyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 119101749
cyclopropyl-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 119101736
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165113
1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509932
1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233
1-adamantyl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805518
1-adamantyl-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414910
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-adamantyl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 75407812
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone (CID 124727706) is 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone is O=C(N1CC[C@@H](n2nccn2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SAWRHYCGJFVJSK-UZZMVUAXSA-N. The full InChI is InChI=1S/C17H24N4O/c22-16(20-4-1-15(11-20)21-18-2-3-19-21)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-3,12-15H,1,4-11H2/t12?,13?,14?,15-,17?/m1/s1.
What are the key properties of 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 300.41 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124727706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).