N-(1-cyanobutyl)acetamide

C7H12N2O — CID 59373725

IUPACN-(1-cyanobutyl)acetamide
SMILESCCCC(C#N)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-3-4-7(5-8)9-6(2)10/h7H,3-4H2,1-2H3,(H,9,10)
InChIKeyGNMPNRWZFIKEIO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds3

About N-(1-cyanobutyl)acetamide

N-(1-cyanobutyl)acetamide (PubChem CID 59373725) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(1-cyanobutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)acetamide
PubChem CID59373725
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(1-cyanobutyl)acetamide
SMILESCCCC(C#N)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-3-4-7(5-8)9-6(2)10/h7H,3-4H2,1-2H3,(H,9,10)
InChIKeyGNMPNRWZFIKEIO-UHFFFAOYSA-N
XLogP0.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 299369
CID 299369
CID 4462806
CID 4462806
CID 15084875
CID 15084875
CID 243358
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CID 14131902
CID 14131902
CID 15723053
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CID 103651
CID 103651
CID 10986246
CID 10986246

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)acetamide?
The IUPAC name of N-(1-cyanobutyl)acetamide (CID 59373725) is N-(1-cyanobutyl)acetamide.
What is the SMILES notation for N-(1-cyanobutyl)acetamide?
The canonical SMILES for N-(1-cyanobutyl)acetamide is CCCC(C#N)NC(C)=O.
What is the InChIKey of N-(1-cyanobutyl)acetamide?
The InChIKey is GNMPNRWZFIKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-7(5-8)9-6(2)10/h7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-(1-cyanobutyl)acetamide?
N-(1-cyanobutyl)acetamide has a molecular weight of 140.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)acetamide is sourced from PubChem (CID 59373725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).