acetaldehyde;formamide;piperidine

C8H18N2O2 — CID 145408338

IUPACacetaldehyde;formamide;piperidine
SMILESC1CCNCC1.CC=O.NC=O
InChIInChI=1S/C5H11N.C2H4O.CH3NO/c1-2-4-6-5-3-1;1-2-3;2-1-3/h6H,1-5H2;2H,1H3;1H,(H2,2,3)
InChIKeyRLDFLZOIHHWBEF-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.07
Rot. Bonds

About acetaldehyde;formamide;piperidine

acetaldehyde;formamide;piperidine (PubChem CID 145408338) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is acetaldehyde;formamide;piperidine.

Molecular Properties

Compound Nameacetaldehyde;formamide;piperidine
PubChem CID145408338
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameacetaldehyde;formamide;piperidine
SMILESC1CCNCC1.CC=O.NC=O
InChIInChI=1S/C5H11N.C2H4O.CH3NO/c1-2-4-6-5-3-1;1-2-3;2-1-3/h6H,1-5H2;2H,1H3;1H,(H2,2,3)
InChIKeyRLDFLZOIHHWBEF-UHFFFAOYSA-N
XLogP0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;formamide;piperidine?
The IUPAC name of acetaldehyde;formamide;piperidine (CID 145408338) is acetaldehyde;formamide;piperidine.
What is the SMILES notation for acetaldehyde;formamide;piperidine?
The canonical SMILES for acetaldehyde;formamide;piperidine is C1CCNCC1.CC=O.NC=O.
What is the InChIKey of acetaldehyde;formamide;piperidine?
The InChIKey is RLDFLZOIHHWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H4O.CH3NO/c1-2-4-6-5-3-1;1-2-3;2-1-3/h6H,1-5H2;2H,1H3;1H,(H2,2,3).
What are the key properties of acetaldehyde;formamide;piperidine?
acetaldehyde;formamide;piperidine has a molecular weight of 174.24 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formamide;piperidine is sourced from PubChem (CID 145408338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).