N-(1-cyanobutyl)formamide

C6H10N2O — CID 55286734

IUPACN-(1-cyanobutyl)formamide
SMILESCCCC(C#N)NC=O
InChIInChI=1S/C6H10N2O/c1-2-3-6(4-7)8-5-9/h5-6H,2-3H2,1H3,(H,8,9)
InChIKeyAWTKJYKSTHOKIE-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.42
Rot. Bonds4

About N-(1-cyanobutyl)formamide

N-(1-cyanobutyl)formamide (PubChem CID 55286734) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(1-cyanobutyl)formamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)formamide
PubChem CID55286734
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(1-cyanobutyl)formamide
SMILESCCCC(C#N)NC=O
InChIInChI=1S/C6H10N2O/c1-2-3-6(4-7)8-5-9/h5-6H,2-3H2,1H3,(H,8,9)
InChIKeyAWTKJYKSTHOKIE-UHFFFAOYSA-N
XLogP0.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
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-(1-cyanobutyl)formamide?
The IUPAC name of N-(1-cyanobutyl)formamide (CID 55286734) is N-(1-cyanobutyl)formamide.
What is the SMILES notation for N-(1-cyanobutyl)formamide?
The canonical SMILES for N-(1-cyanobutyl)formamide is CCCC(C#N)NC=O.
What is the InChIKey of N-(1-cyanobutyl)formamide?
The InChIKey is AWTKJYKSTHOKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-6(4-7)8-5-9/h5-6H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(1-cyanobutyl)formamide?
N-(1-cyanobutyl)formamide has a molecular weight of 126.16 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)formamide is sourced from PubChem (CID 55286734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).