4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride

C10H15F5N2O3 — CID 161102199

IUPAC4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride
SMILESF.FF.FF.NC(=O)CCCn1c(C=O)ccc1CO
InChIInChI=1S/C10H14N2O3.2F2.FH/c11-10(15)2-1-5-12-8(6-13)3-4-9(12)7-14;2*1-2;/h3-4,6,14H,1-2,5,7H2,(H2,11,15);;;1H
InChIKeyUIORTNCOXLZMBB-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.89
Rot. Bonds6

About 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride

4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride (PubChem CID 161102199) has the molecular formula C10H15F5N2O3 and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride
PubChem CID161102199
Molecular FormulaC10H15F5N2O3
Molecular Weight306.23 g/mol
Exact Mass306.10
IUPAC Name4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride
SMILESF.FF.FF.NC(=O)CCCn1c(C=O)ccc1CO
InChIInChI=1S/C10H14N2O3.2F2.FH/c11-10(15)2-1-5-12-8(6-13)3-4-9(12)7-14;2*1-2;/h3-4,6,14H,1-2,5,7H2,(H2,11,15);;;1H
InChIKeyUIORTNCOXLZMBB-UHFFFAOYSA-N
XLogP1.89
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride?
The IUPAC name of 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride (CID 161102199) is 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride.
What is the SMILES notation for 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride?
The canonical SMILES for 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride is F.FF.FF.NC(=O)CCCn1c(C=O)ccc1CO.
What is the InChIKey of 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride?
The InChIKey is UIORTNCOXLZMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.2F2.FH/c11-10(15)2-1-5-12-8(6-13)3-4-9(12)7-14;2*1-2;/h3-4,6,14H,1-2,5,7H2,(H2,11,15);;;1H.
What are the key properties of 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride?
4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride has a molecular weight of 306.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanamide;molecular fluorine;hydrofluoride is sourced from PubChem (CID 161102199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).