5-formyl-6-oxohexanamide

C7H11NO3 — CID 140570423

IUPAC5-formyl-6-oxohexanamide
SMILESNC(=O)CCCC(C=O)C=O
InChIInChI=1S/C7H11NO3/c8-7(11)3-1-2-6(4-9)5-10/h4-6H,1-3H2,(H2,8,11)
InChIKeyUNNPOXUVOPFEEE-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.34
Rot. Bonds6

About 5-formyl-6-oxohexanamide

5-formyl-6-oxohexanamide (PubChem CID 140570423) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-formyl-6-oxohexanamide.

Molecular Properties

Compound Name5-formyl-6-oxohexanamide
PubChem CID140570423
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name5-formyl-6-oxohexanamide
SMILESNC(=O)CCCC(C=O)C=O
InChIInChI=1S/C7H11NO3/c8-7(11)3-1-2-6(4-9)5-10/h4-6H,1-3H2,(H2,8,11)
InChIKeyUNNPOXUVOPFEEE-UHFFFAOYSA-N
XLogP-0.34
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-5-iodopentanamide
CID 131980527
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
5,6-diaminohexanamide
CID 163484084
[(2R)-6-amino-6-oxohexan-2-yl]azanide
CID 58593495
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid
CID 162498855
4-(1,5-dioxopentan-2-ylamino)butanamide
CID 169158983

Frequently Asked Questions

What is the IUPAC name of 5-formyl-6-oxohexanamide?
The IUPAC name of 5-formyl-6-oxohexanamide (CID 140570423) is 5-formyl-6-oxohexanamide.
What is the SMILES notation for 5-formyl-6-oxohexanamide?
The canonical SMILES for 5-formyl-6-oxohexanamide is NC(=O)CCCC(C=O)C=O.
What is the InChIKey of 5-formyl-6-oxohexanamide?
The InChIKey is UNNPOXUVOPFEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c8-7(11)3-1-2-6(4-9)5-10/h4-6H,1-3H2,(H2,8,11).
What are the key properties of 5-formyl-6-oxohexanamide?
5-formyl-6-oxohexanamide has a molecular weight of 157.17 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-6-oxohexanamide is sourced from PubChem (CID 140570423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).