(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone

C17H27NO — CID 6464652

IUPAC(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCCC1)(C3)C2
InChIInChI=1S/C17H27NO/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(19)18-5-3-4-6-18/h13H,3-12H2,1-2H3
InChIKeyNLFKLCRVPYQIRK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone

(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone (PubChem CID 6464652) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
PubChem CID6464652
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
SMILESCC12CC3CC(C)(C1)CC(C(=O)N1CCCC1)(C3)C2
InChIInChI=1S/C17H27NO/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(19)18-5-3-4-6-18/h13H,3-12H2,1-2H3
InChIKeyNLFKLCRVPYQIRK-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone (CID 6464652) is (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone is CC12CC3CC(C)(C1)CC(C(=O)N1CCCC1)(C3)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone?
The InChIKey is NLFKLCRVPYQIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(19)18-5-3-4-6-18/h13H,3-12H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone?
(3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone has a molecular weight of 261.41 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 6464652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).