[3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone

C20H30N2O2 — CID 2887737

IUPAC[3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C12CC3CC(C1)CC(C(=O)N1CCCC1)(C3)C2
InChIInChI=1S/C20H30N2O2/c23-17(21-5-1-2-6-21)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22-7-3-4-8-22/h15-16H,1-14H2
InChIKeySJQWBEGMPWXTJJ-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.82
Rot. Bonds2

About [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone

[3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone (PubChem CID 2887737) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone
PubChem CID2887737
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C12CC3CC(C1)CC(C(=O)N1CCCC1)(C3)C2
InChIInChI=1S/C20H30N2O2/c23-17(21-5-1-2-6-21)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22-7-3-4-8-22/h15-16H,1-14H2
InChIKeySJQWBEGMPWXTJJ-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone (CID 2887737) is [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C12CC3CC(C1)CC(C(=O)N1CCCC1)(C3)C2.
What is the InChIKey of [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SJQWBEGMPWXTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-17(21-5-1-2-6-21)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22-7-3-4-8-22/h15-16H,1-14H2.
What are the key properties of [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone?
[3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.47 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrrolidine-1-carbonyl)-1-adamantyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2887737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).