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

C14H18N2O3 — CID 95739460

IUPAC(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CC2)o1
InChIInChI=1S/C14H18N2O3/c1-9-2-5-11(19-9)8-16-12(6-7-13(16)17)14(18)15-10-3-4-10/h2,5,10,12H,3-4,6-8H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyOAUINNUXRFTMRA-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.36
Rot. Bonds4

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

(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95739460) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95739460
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CC2)o1
InChIInChI=1S/C14H18N2O3/c1-9-2-5-11(19-9)8-16-12(6-7-13(16)17)14(18)15-10-3-4-10/h2,5,10,12H,3-4,6-8H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyOAUINNUXRFTMRA-LBPRGKRZSA-N
XLogP1.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 95739460) is (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CC2)o1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OAUINNUXRFTMRA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-2-5-11(19-9)8-16-12(6-7-13(16)17)14(18)15-10-3-4-10/h2,5,10,12H,3-4,6-8H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95739460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).