(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

C15H22N2O3 — CID 95739502

IUPAC(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)C)o1
InChIInChI=1S/C15H22N2O3/c1-10(2)8-16-15(19)13-6-7-14(18)17(13)9-12-5-4-11(3)20-12/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyOKDVJHJCSPXIPY-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.85
Rot. Bonds5

About (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 95739502) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID95739502
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)C)o1
InChIInChI=1S/C15H22N2O3/c1-10(2)8-16-15(19)13-6-7-14(18)17(13)9-12-5-4-11(3)20-12/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyOKDVJHJCSPXIPY-ZDUSSCGKSA-N
XLogP1.85
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 95739502) is (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)C)o1.
What is the InChIKey of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OKDVJHJCSPXIPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)8-16-15(19)13-6-7-14(18)17(13)9-12-5-4-11(3)20-12/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95739502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).