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

C19H23NO3 — CID 1091762

IUPAC[5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C19H23NO3/c1-2-5-15-6-8-16(9-7-15)22-14-17-10-11-18(23-17)19(21)20-12-3-4-13-20/h6-11H,2-5,12-14H2,1H3
InChIKeyYEOJPRQUQRUJNI-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.05
Rot. Bonds6

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

[5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1091762) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID1091762
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C19H23NO3/c1-2-5-15-6-8-16(9-7-15)22-14-17-10-11-18(23-17)19(21)20-12-3-4-13-20/h6-11H,2-5,12-14H2,1H3
InChIKeyYEOJPRQUQRUJNI-UHFFFAOYSA-N
XLogP4.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 1091762) is [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is CCCc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YEOJPRQUQRUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-5-15-6-8-16(9-7-15)22-14-17-10-11-18(23-17)19(21)20-12-3-4-13-20/h6-11H,2-5,12-14H2,1H3.
What are the key properties of [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-propylphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1091762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).