N-butylformamide;furan

C9H15NO2 — CID 19603883

IUPACN-butylformamide;furan
SMILESCCCCNC=O.c1ccoc1
InChIInChI=1S/C5H11NO.C4H4O/c1-2-3-4-6-5-7;1-2-4-5-3-1/h5H,2-4H2,1H3,(H,6,7);1-4H
InChIKeyBLCOLJKICHYGJR-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.81
Rot. Bonds4

About N-butylformamide;furan

N-butylformamide;furan (PubChem CID 19603883) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-butylformamide;furan.

Molecular Properties

Compound NameN-butylformamide;furan
PubChem CID19603883
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-butylformamide;furan
SMILESCCCCNC=O.c1ccoc1
InChIInChI=1S/C5H11NO.C4H4O/c1-2-3-4-6-5-7;1-2-4-5-3-1/h5H,2-4H2,1H3,(H,6,7);1-4H
InChIKeyBLCOLJKICHYGJR-UHFFFAOYSA-N
XLogP1.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylformamide;furan?
The IUPAC name of N-butylformamide;furan (CID 19603883) is N-butylformamide;furan.
What is the SMILES notation for N-butylformamide;furan?
The canonical SMILES for N-butylformamide;furan is CCCCNC=O.c1ccoc1.
What is the InChIKey of N-butylformamide;furan?
The InChIKey is BLCOLJKICHYGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H4O/c1-2-3-4-6-5-7;1-2-4-5-3-1/h5H,2-4H2,1H3,(H,6,7);1-4H.
What are the key properties of N-butylformamide;furan?
N-butylformamide;furan has a molecular weight of 169.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylformamide;furan is sourced from PubChem (CID 19603883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).