N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide

C10H16N2O2 — CID 103520492

IUPACN-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)CC#N)CCC1
InChIInChI=1S/C10H16N2O2/c1-12(7-6-11)9(13)8-10(14-2)4-3-5-10/h3-5,7-8H2,1-2H3
InChIKeyDROOVMIUHSPNMC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds4

About N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide

N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (PubChem CID 103520492) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
PubChem CID103520492
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)CC#N)CCC1
InChIInChI=1S/C10H16N2O2/c1-12(7-6-11)9(13)8-10(14-2)4-3-5-10/h3-5,7-8H2,1-2H3
InChIKeyDROOVMIUHSPNMC-UHFFFAOYSA-N
XLogP0.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (CID 103520492) is N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is COC1(CC(=O)N(C)CC#N)CCC1.
What is the InChIKey of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The InChIKey is DROOVMIUHSPNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(7-6-11)9(13)8-10(14-2)4-3-5-10/h3-5,7-8H2,1-2H3.
What are the key properties of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103520492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).