N-formyl-N-pentylformamide

C7H13NO2 — CID 15721137

IUPACN-formyl-N-pentylformamide
SMILESCCCCCN(C=O)C=O
InChIInChI=1S/C7H13NO2/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5H2,1H3
InChIKeyJAXHJYMMBPGCND-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.79
Rot. Bonds6

About N-formyl-N-pentylformamide

N-formyl-N-pentylformamide (PubChem CID 15721137) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-formyl-N-pentylformamide.

Molecular Properties

Compound NameN-formyl-N-pentylformamide
PubChem CID15721137
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-formyl-N-pentylformamide
SMILESCCCCCN(C=O)C=O
InChIInChI=1S/C7H13NO2/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5H2,1H3
InChIKeyJAXHJYMMBPGCND-UHFFFAOYSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
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

Methylbutylformamide
CID 14230
N-butyl-N-formylformamide
CID 15721136
Methylhexylformamide
CID 272128
N,N-dipentylformamide
CID 346328
Formyl-hexyl-dimethylazanium
CID 9547896
N-butyl-N-pentylformamide
CID 13244896
N-ethyl-N-pentylformamide
CID 14151222
N-[6-[formyl(methyl)amino]hexyl]-N-methylformamide
CID 19914423
N-pentyl-N-propylformamide
CID 20355096
N-methyl-N-pentylformamide
CID 22754748
Formyl(pentyl)carbamic acid
CID 54048775
N-formyl-N-propylformamide
CID 54404212

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-pentylformamide?
The IUPAC name of N-formyl-N-pentylformamide (CID 15721137) is N-formyl-N-pentylformamide.
What is the SMILES notation for N-formyl-N-pentylformamide?
The canonical SMILES for N-formyl-N-pentylformamide is CCCCCN(C=O)C=O.
What is the InChIKey of N-formyl-N-pentylformamide?
The InChIKey is JAXHJYMMBPGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5H2,1H3.
What are the key properties of N-formyl-N-pentylformamide?
N-formyl-N-pentylformamide has a molecular weight of 143.19 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-pentylformamide is sourced from PubChem (CID 15721137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).