4-(N-pentylanilino)-2H-furan-5-one

C15H19NO2 — CID 70399543

IUPAC4-(N-pentylanilino)-2H-furan-5-one
SMILESCCCCCN(C1=CCOC1=O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-3-7-11-16(13-8-5-4-6-9-13)14-10-12-18-15(14)17/h4-6,8-10H,2-3,7,11-12H2,1H3
InChIKeySDWAHMXFNUUUBM-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds6

About 4-(N-pentylanilino)-2H-furan-5-one

4-(N-pentylanilino)-2H-furan-5-one (PubChem CID 70399543) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(N-pentylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(N-pentylanilino)-2H-furan-5-one
PubChem CID70399543
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(N-pentylanilino)-2H-furan-5-one
SMILESCCCCCN(C1=CCOC1=O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-3-7-11-16(13-8-5-4-6-9-13)14-10-12-18-15(14)17/h4-6,8-10H,2-3,7,11-12H2,1H3
InChIKeySDWAHMXFNUUUBM-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-pentylanilino)-2H-furan-5-one?
The IUPAC name of 4-(N-pentylanilino)-2H-furan-5-one (CID 70399543) is 4-(N-pentylanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(N-pentylanilino)-2H-furan-5-one?
The canonical SMILES for 4-(N-pentylanilino)-2H-furan-5-one is CCCCCN(C1=CCOC1=O)c1ccccc1.
What is the InChIKey of 4-(N-pentylanilino)-2H-furan-5-one?
The InChIKey is SDWAHMXFNUUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-7-11-16(13-8-5-4-6-9-13)14-10-12-18-15(14)17/h4-6,8-10H,2-3,7,11-12H2,1H3.
What are the key properties of 4-(N-pentylanilino)-2H-furan-5-one?
4-(N-pentylanilino)-2H-furan-5-one has a molecular weight of 245.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-pentylanilino)-2H-furan-5-one is sourced from PubChem (CID 70399543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).