N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide

C12H20N2O2 — CID 65156063

IUPACN-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(C#N)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H20N2O2/c1-7(5-13)6-14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,6H2,1-4H3,(H,14,15)
InChIKeyBRVVPMWKPINKAC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.32
Rot. Bonds3

About N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156063) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156063
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(C#N)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H20N2O2/c1-7(5-13)6-14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,6H2,1-4H3,(H,14,15)
InChIKeyBRVVPMWKPINKAC-UHFFFAOYSA-N
XLogP1.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65156063) is N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC(C#N)CNC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is BRVVPMWKPINKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(5-13)6-14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,6H2,1-4H3,(H,14,15).
What are the key properties of N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).