(2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide

C16H26N2O — CID 46889269

IUPAC(2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1
InChIKeyBSDCVOMOZRWDIN-DUTNFGBUSA-N
MW262.40 g/mol
LogP2.02
Rot. Bonds2

About (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 46889269) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID46889269
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1
InChIKeyBSDCVOMOZRWDIN-DUTNFGBUSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide (CID 46889269) is (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is BSDCVOMOZRWDIN-DUTNFGBUSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46889269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).