N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide

C13H20N2O3 — CID 25001030

IUPACN-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCn1c(C=O)ccc1CO
InChIInChI=1S/C13H20N2O3/c1-11(18)14-7-3-2-4-8-15-12(9-16)5-6-13(15)10-17/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,14,18)
InChIKeyHOQVDCAIUCEKDZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.10
Rot. Bonds8

About N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide

N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide (PubChem CID 25001030) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide
PubChem CID25001030
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCn1c(C=O)ccc1CO
InChIInChI=1S/C13H20N2O3/c1-11(18)14-7-3-2-4-8-15-12(9-16)5-6-13(15)10-17/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,14,18)
InChIKeyHOQVDCAIUCEKDZ-UHFFFAOYSA-N
XLogP1.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide?
The IUPAC name of N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide (CID 25001030) is N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide?
The canonical SMILES for N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide is CC(=O)NCCCCCn1c(C=O)ccc1CO.
What is the InChIKey of N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide?
The InChIKey is HOQVDCAIUCEKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(18)14-7-3-2-4-8-15-12(9-16)5-6-13(15)10-17/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,14,18).
What are the key properties of N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide?
N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]pentyl]acetamide is sourced from PubChem (CID 25001030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).