[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C19H23NO3 — CID 717029

IUPAC[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)15-5-7-16(8-6-15)22-13-17-9-10-18(23-17)19(21)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyGBCUMXYFUFSAKT-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.22
Rot. Bonds5

About [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 717029) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID717029
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)15-5-7-16(8-6-15)22-13-17-9-10-18(23-17)19(21)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyGBCUMXYFUFSAKT-UHFFFAOYSA-N
XLogP4.22
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 717029) is [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is CC(C)c1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GBCUMXYFUFSAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)15-5-7-16(8-6-15)22-13-17-9-10-18(23-17)19(21)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 717029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).