N-butyl-N-formylformamide

C6H11NO2 — CID 15721136

IUPACN-butyl-N-formylformamide
SMILESCCCCN(C=O)C=O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7(5-8)6-9/h5-6H,2-4H2,1H3
InChIKeyBHNIRWBQJGHKEE-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.40
Rot. Bonds5

About N-butyl-N-formylformamide

N-butyl-N-formylformamide (PubChem CID 15721136) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-butyl-N-formylformamide.

Molecular Properties

Compound NameN-butyl-N-formylformamide
PubChem CID15721136
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-butyl-N-formylformamide
SMILESCCCCN(C=O)C=O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7(5-8)6-9/h5-6H,2-4H2,1H3
InChIKeyBHNIRWBQJGHKEE-UHFFFAOYSA-N
XLogP0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dipropylformamide
CID 22687
Methylbutylformamide
CID 14230
N-ethyl-N-formylformamide
CID 12540907
N-Methyl-N-propylformamide
CID 19070644
N-(4-fluorobutyl)-N-methylformamide
CID 153370981
N-butyl-N-ethylformamide
CID 12749099
N-formyl-N-pentylformamide
CID 15721137
N-(2-fluorobutyl)-N-methylformamide
CID 143729970
N-ethyl-N-propylformamide
CID 12622744
N-butyl-N-(hydroxymethyl)formamide
CID 13163680
N-formyl-N-(2-methylpropyl)formamide
CID 18769156
N-formyl-N-propan-2-ylformamide
CID 21354474

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-formylformamide?
The IUPAC name of N-butyl-N-formylformamide (CID 15721136) is N-butyl-N-formylformamide.
What is the SMILES notation for N-butyl-N-formylformamide?
The canonical SMILES for N-butyl-N-formylformamide is CCCCN(C=O)C=O.
What is the InChIKey of N-butyl-N-formylformamide?
The InChIKey is BHNIRWBQJGHKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-7(5-8)6-9/h5-6H,2-4H2,1H3.
What are the key properties of N-butyl-N-formylformamide?
N-butyl-N-formylformamide has a molecular weight of 129.16 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-formylformamide is sourced from PubChem (CID 15721136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).