N-butylformamide

C10H22N2O2 — CID 157204565

IUPACN-butylformamide
SMILESCCCCNC=O.CCCCNC=O
InChIInChI=1S/2C5H11NO/c2*1-2-3-4-6-5-7/h2*5H,2-4H2,1H3,(H,6,7)
InChIKeyAREVLXZOSCYFBY-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.07
Rot. Bonds8

About N-butylformamide

N-butylformamide (PubChem CID 157204565) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-butylformamide.

Molecular Properties

Compound NameN-butylformamide
PubChem CID157204565
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-butylformamide
SMILESCCCCNC=O.CCCCNC=O
InChIInChI=1S/2C5H11NO/c2*1-2-3-4-6-5-7/h2*5H,2-4H2,1H3,(H,6,7)
InChIKeyAREVLXZOSCYFBY-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-butylformamide?
The IUPAC name of N-butylformamide (CID 157204565) is N-butylformamide.
What is the SMILES notation for N-butylformamide?
The canonical SMILES for N-butylformamide is CCCCNC=O.CCCCNC=O.
What is the InChIKey of N-butylformamide?
The InChIKey is AREVLXZOSCYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO/c2*1-2-3-4-6-5-7/h2*5H,2-4H2,1H3,(H,6,7).
What are the key properties of N-butylformamide?
N-butylformamide has a molecular weight of 202.30 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylformamide is sourced from PubChem (CID 157204565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).