N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide

C10H16N2O2 — CID 80995980

IUPACN-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC(CC#N)NC(=O)C1CCC(C)O1
InChIInChI=1S/C10H16N2O2/c1-7(5-6-11)12-10(13)9-4-3-8(2)14-9/h7-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyZFYBWHHEDGTYEV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide

N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide (PubChem CID 80995980) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
PubChem CID80995980
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC(CC#N)NC(=O)C1CCC(C)O1
InChIInChI=1S/C10H16N2O2/c1-7(5-6-11)12-10(13)9-4-3-8(2)14-9/h7-9H,3-5H2,1-2H3,(H,12,13)
InChIKeyZFYBWHHEDGTYEV-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
CID 130736791
N-(5-aminopentan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326874
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
CID 81330856
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
2-amino-N-(1-cyanopropan-2-yl)cyclopentane-1-carboxamide
CID 64824063
1-(1-cyanopropan-2-yl)-3-cyclopropylurea
CID 62699301
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326944
tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
CID 81003461
N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468991
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide (CID 80995980) is N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide is CC(CC#N)NC(=O)C1CCC(C)O1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is ZFYBWHHEDGTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(5-6-11)12-10(13)9-4-3-8(2)14-9/h7-9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide?
N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 80995980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).