N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide

C18H26N2O2 — CID 71789188

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide
SMILESO=C1CC(NC(=O)C23CC4CC(CC(C4)C2)C3)CN1C1CC1
InChIInChI=1S/C18H26N2O2/c21-16-6-14(10-20(16)15-1-2-15)19-17(22)18-7-11-3-12(8-18)5-13(4-11)9-18/h11-15H,1-10H2,(H,19,22)
InChIKeyBRYMWKXZMXVBRT-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.08
Rot. Bonds3

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide (PubChem CID 71789188) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide
PubChem CID71789188
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide
SMILESO=C1CC(NC(=O)C23CC4CC(CC(C4)C2)C3)CN1C1CC1
InChIInChI=1S/C18H26N2O2/c21-16-6-14(10-20(16)15-1-2-15)19-17(22)18-7-11-3-12(8-18)5-13(4-11)9-18/h11-15H,1-10H2,(H,19,22)
InChIKeyBRYMWKXZMXVBRT-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide (CID 71789188) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide is O=C1CC(NC(=O)C23CC4CC(CC(C4)C2)C3)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
The InChIKey is BRYMWKXZMXVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-16-6-14(10-20(16)15-1-2-15)19-17(22)18-7-11-3-12(8-18)5-13(4-11)9-18/h11-15H,1-10H2,(H,19,22).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 71789188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).