N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide

C10H16N2O — CID 127001216

IUPACN-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1(C)CCC1
InChIInChI=1S/C10H16N2O/c1-8(6-11)7-12-9(13)10(2)4-3-5-10/h8H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyUGQNVOKMPVTMLI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.45
Rot. Bonds3

About N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide

N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide (PubChem CID 127001216) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
PubChem CID127001216
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1(C)CCC1
InChIInChI=1S/C10H16N2O/c1-8(6-11)7-12-9(13)10(2)4-3-5-10/h8H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyUGQNVOKMPVTMLI-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide (CID 127001216) is N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide is CC(C#N)CNC(=O)C1(C)CCC1.
What is the InChIKey of N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide?
The InChIKey is UGQNVOKMPVTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(6-11)7-12-9(13)10(2)4-3-5-10/h8H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide?
N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 127001216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).