N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

C14H20N2O3 — CID 54872068

IUPACN-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CN(C(=O)C2CC(O)CN2)C2CC2)o1
InChIInChI=1S/C14H20N2O3/c1-9-2-5-12(19-9)8-16(10-3-4-10)14(18)13-6-11(17)7-15-13/h2,5,10-11,13,15,17H,3-4,6-8H2,1H3
InChIKeyNDTNSCHMHFGFBR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds4

About N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 54872068) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID54872068
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CN(C(=O)C2CC(O)CN2)C2CC2)o1
InChIInChI=1S/C14H20N2O3/c1-9-2-5-12(19-9)8-16(10-3-4-10)14(18)13-6-11(17)7-15-13/h2,5,10-11,13,15,17H,3-4,6-8H2,1H3
InChIKeyNDTNSCHMHFGFBR-UHFFFAOYSA-N
XLogP0.80
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (CID 54872068) is N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is Cc1ccc(CN(C(=O)C2CC(O)CN2)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NDTNSCHMHFGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-2-5-12(19-9)8-16(10-3-4-10)14(18)13-6-11(17)7-15-13/h2,5,10-11,13,15,17H,3-4,6-8H2,1H3.
What are the key properties of N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54872068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).