acetamide;hexanal

C8H17NO2 — CID 157359480

IUPACacetamide;hexanal
SMILESCC(N)=O.CCCCCC=O
InChIInChI=1S/C6H12O.C2H5NO/c1-2-3-4-5-6-7;1-2(3)4/h6H,2-5H2,1H3;1H3,(H2,3,4)
InChIKeyBILSLQULGYQOEV-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.26
Rot. Bonds4

About acetamide;hexanal

acetamide;hexanal (PubChem CID 157359480) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is acetamide;hexanal.

Molecular Properties

Compound Nameacetamide;hexanal
PubChem CID157359480
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameacetamide;hexanal
SMILESCC(N)=O.CCCCCC=O
InChIInChI=1S/C6H12O.C2H5NO/c1-2-3-4-5-6-7;1-2(3)4/h6H,2-5H2,1H3;1H3,(H2,3,4)
InChIKeyBILSLQULGYQOEV-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.26
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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Related Compounds

carbonic acid;dodecanal
CID 87947916
hexanal;titanium
CID 87066655
decanal;decane
CID 157361056
hexanal;trihydrochloride
CID 175325753
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
ethane-1,2-diol;heptanal
CID 87390438
hexanal;3-methylbut-2-enal
CID 23314294
9-oxotetradecanal
CID 13272684

Frequently Asked Questions

What is the IUPAC name of acetamide;hexanal?
The IUPAC name of acetamide;hexanal (CID 157359480) is acetamide;hexanal.
What is the SMILES notation for acetamide;hexanal?
The canonical SMILES for acetamide;hexanal is CC(N)=O.CCCCCC=O.
What is the InChIKey of acetamide;hexanal?
The InChIKey is BILSLQULGYQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H5NO/c1-2-3-4-5-6-7;1-2(3)4/h6H,2-5H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;hexanal?
acetamide;hexanal has a molecular weight of 159.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;hexanal is sourced from PubChem (CID 157359480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).