N-(2-cyanopropyl)oxane-2-carboxamide

C10H16N2O2 — CID 62652934

IUPACN-(2-cyanopropyl)oxane-2-carboxamide
SMILESCC(C#N)CNC(=O)C1CCCCO1
InChIInChI=1S/C10H16N2O2/c1-8(6-11)7-12-10(13)9-4-2-3-5-14-9/h8-9H,2-5,7H2,1H3,(H,12,13)
InChIKeyAXBJPHRZLBQKJV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds3

About N-(2-cyanopropyl)oxane-2-carboxamide

N-(2-cyanopropyl)oxane-2-carboxamide (PubChem CID 62652934) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-cyanopropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)oxane-2-carboxamide
PubChem CID62652934
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-cyanopropyl)oxane-2-carboxamide
SMILESCC(C#N)CNC(=O)C1CCCCO1
InChIInChI=1S/C10H16N2O2/c1-8(6-11)7-12-10(13)9-4-2-3-5-14-9/h8-9H,2-5,7H2,1H3,(H,12,13)
InChIKeyAXBJPHRZLBQKJV-UHFFFAOYSA-N
XLogP0.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide
CID 103822648
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)oxane-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)oxane-2-carboxamide (CID 62652934) is N-(2-cyanopropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)oxane-2-carboxamide is CC(C#N)CNC(=O)C1CCCCO1.
What is the InChIKey of N-(2-cyanopropyl)oxane-2-carboxamide?
The InChIKey is AXBJPHRZLBQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(6-11)7-12-10(13)9-4-2-3-5-14-9/h8-9H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-(2-cyanopropyl)oxane-2-carboxamide?
N-(2-cyanopropyl)oxane-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)oxane-2-carboxamide is sourced from PubChem (CID 62652934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).