N-formyl-N-(5-oxopentan-2-yl)formamide

C7H11NO3 — CID 156711678

IUPACN-formyl-N-(5-oxopentan-2-yl)formamide
SMILESCC(CCC=O)N(C=O)C=O
InChIInChI=1S/C7H11NO3/c1-7(3-2-4-9)8(5-10)6-11/h4-7H,2-3H2,1H3
InChIKeyGPOKXUZUGBHFOG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.03
Rot. Bonds6

About N-formyl-N-(5-oxopentan-2-yl)formamide

N-formyl-N-(5-oxopentan-2-yl)formamide (PubChem CID 156711678) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-formyl-N-(5-oxopentan-2-yl)formamide.

Molecular Properties

Compound NameN-formyl-N-(5-oxopentan-2-yl)formamide
PubChem CID156711678
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-formyl-N-(5-oxopentan-2-yl)formamide
SMILESCC(CCC=O)N(C=O)C=O
InChIInChI=1S/C7H11NO3/c1-7(3-2-4-9)8(5-10)6-11/h4-7H,2-3H2,1H3
InChIKeyGPOKXUZUGBHFOG-UHFFFAOYSA-N
XLogP-0.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ditert-butylamino)pentanal
CID 54284317
methane;4-methylpentanal
CID 87157049
triethyl(3-oxopropyl)phosphanium
CID 89178953
(4R)-4,5-dimethylhexanal
CID 54430420
4,7-dimethylnonanal
CID 87290996
4,6-dimethylheptanal
CID 57105228
(3S)-3-methylhexanedial
CID 129384452
4-methylhept-6-ynal
CID 130035295
(4S)-5-hydroxy-4-methylpentanal
CID 172722618
4-sulfanylhexanal
CID 174812634
(4R)-5-hydroxy-4-methylpentanal
CID 130949697
N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide
CID 176715255

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(5-oxopentan-2-yl)formamide?
The IUPAC name of N-formyl-N-(5-oxopentan-2-yl)formamide (CID 156711678) is N-formyl-N-(5-oxopentan-2-yl)formamide.
What is the SMILES notation for N-formyl-N-(5-oxopentan-2-yl)formamide?
The canonical SMILES for N-formyl-N-(5-oxopentan-2-yl)formamide is CC(CCC=O)N(C=O)C=O.
What is the InChIKey of N-formyl-N-(5-oxopentan-2-yl)formamide?
The InChIKey is GPOKXUZUGBHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(3-2-4-9)8(5-10)6-11/h4-7H,2-3H2,1H3.
What are the key properties of N-formyl-N-(5-oxopentan-2-yl)formamide?
N-formyl-N-(5-oxopentan-2-yl)formamide has a molecular weight of 157.17 g/mol, XLogP of -0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(5-oxopentan-2-yl)formamide is sourced from PubChem (CID 156711678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).