N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide

C10H16N2O2 — CID 103520428

IUPACN-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC(C)C#N)CCC1
InChIInChI=1S/C10H16N2O2/c1-8(7-11)12-9(13)6-10(14-2)4-3-5-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyVSKGANGZGUADPP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds4

About N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide

N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103520428) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103520428
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC(C)C#N)CCC1
InChIInChI=1S/C10H16N2O2/c1-8(7-11)12-9(13)6-10(14-2)4-3-5-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyVSKGANGZGUADPP-UHFFFAOYSA-N
XLogP0.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide (CID 103520428) is N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC(C)C#N)CCC1.
What is the InChIKey of N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is VSKGANGZGUADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(7-11)12-9(13)6-10(14-2)4-3-5-10/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide?
N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).