N-(3-cyanocyclobutyl)propanamide

C8H12N2O — CID 156794436

IUPACN-(3-cyanocyclobutyl)propanamide
SMILESCCC(=O)NC1CC(C#N)C1
InChIInChI=1S/C8H12N2O/c1-2-8(11)10-7-3-6(4-7)5-9/h6-7H,2-4H2,1H3,(H,10,11)
InChIKeyYLUCEZFZKYRAJL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.81
Rot. Bonds2

About N-(3-cyanocyclobutyl)propanamide

N-(3-cyanocyclobutyl)propanamide (PubChem CID 156794436) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(3-cyanocyclobutyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanocyclobutyl)propanamide
PubChem CID156794436
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(3-cyanocyclobutyl)propanamide
SMILESCCC(=O)NC1CC(C#N)C1
InChIInChI=1S/C8H12N2O/c1-2-8(11)10-7-3-6(4-7)5-9/h6-7H,2-4H2,1H3,(H,10,11)
InChIKeyYLUCEZFZKYRAJL-UHFFFAOYSA-N
XLogP0.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanocyclobutyl)propanamide?
The IUPAC name of N-(3-cyanocyclobutyl)propanamide (CID 156794436) is N-(3-cyanocyclobutyl)propanamide.
What is the SMILES notation for N-(3-cyanocyclobutyl)propanamide?
The canonical SMILES for N-(3-cyanocyclobutyl)propanamide is CCC(=O)NC1CC(C#N)C1.
What is the InChIKey of N-(3-cyanocyclobutyl)propanamide?
The InChIKey is YLUCEZFZKYRAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-8(11)10-7-3-6(4-7)5-9/h6-7H,2-4H2,1H3,(H,10,11).
What are the key properties of N-(3-cyanocyclobutyl)propanamide?
N-(3-cyanocyclobutyl)propanamide has a molecular weight of 152.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanocyclobutyl)propanamide is sourced from PubChem (CID 156794436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).