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

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276
N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160350
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid
CID 65492697
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934
2,4,5-trimethyl-N-[2-(propylamino)ethyl]oxolane-3-carboxamide
CID 65160186
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114305647
N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155720

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).