(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

C14H20N2O3 — CID 95739154

IUPAC(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NC(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-9(2)15-14(18)12-6-7-13(17)16(12)8-11-5-4-10(3)19-11/h4-5,9,12H,6-8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyQVINSDIKMIAOLD-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.60
Rot. Bonds4

About (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 95739154) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID95739154
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NC(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-9(2)15-14(18)12-6-7-13(17)16(12)8-11-5-4-10(3)19-11/h4-5,9,12H,6-8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyQVINSDIKMIAOLD-LBPRGKRZSA-N
XLogP1.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 95739502
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 95739472
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739433
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 95739163
1-[(5-methylfuran-2-yl)methyl]-5-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 71688598
(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739435
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 100802952
(5R)-5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 95739483
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (CID 95739154) is (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC(C)C)o1.
What is the InChIKey of (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QVINSDIKMIAOLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)15-14(18)12-6-7-13(17)16(12)8-11-5-4-10(3)19-11/h4-5,9,12H,6-8H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.60, 4 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]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95739154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).