N-[2-(hydroxymethyl)butyl]formamide

C6H13NO2 — CID 130241467

IUPACN-[2-(hydroxymethyl)butyl]formamide
SMILESCCC(CO)CNC=O
InChIInChI=1S/C6H13NO2/c1-2-6(4-8)3-7-5-9/h5-6,8H,2-4H2,1H3,(H,7,9)
InChIKeyBMRKHDVIXPJXPY-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-(hydroxymethyl)butyl]formamide

N-[2-(hydroxymethyl)butyl]formamide (PubChem CID 130241467) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)butyl]formamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)butyl]formamide
PubChem CID130241467
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-[2-(hydroxymethyl)butyl]formamide
SMILESCCC(CO)CNC=O
InChIInChI=1S/C6H13NO2/c1-2-6(4-8)3-7-5-9/h5-6,8H,2-4H2,1H3,(H,7,9)
InChIKeyBMRKHDVIXPJXPY-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)butyl]formamide?
The IUPAC name of N-[2-(hydroxymethyl)butyl]formamide (CID 130241467) is N-[2-(hydroxymethyl)butyl]formamide.
What is the SMILES notation for N-[2-(hydroxymethyl)butyl]formamide?
The canonical SMILES for N-[2-(hydroxymethyl)butyl]formamide is CCC(CO)CNC=O.
What is the InChIKey of N-[2-(hydroxymethyl)butyl]formamide?
The InChIKey is BMRKHDVIXPJXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-6(4-8)3-7-5-9/h5-6,8H,2-4H2,1H3,(H,7,9).
What are the key properties of N-[2-(hydroxymethyl)butyl]formamide?
N-[2-(hydroxymethyl)butyl]formamide has a molecular weight of 131.18 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)butyl]formamide is sourced from PubChem (CID 130241467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).