N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide

C11H18N2O2 — CID 114825540

IUPACN-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCCC(CC#N)NC(=O)C1COC(C)C1
InChIInChI=1S/C11H18N2O2/c1-3-10(4-5-12)13-11(14)9-6-8(2)15-7-9/h8-10H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyFHRYRYGNEVOCDO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds4

About N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide

N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide (PubChem CID 114825540) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide
PubChem CID114825540
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCCC(CC#N)NC(=O)C1COC(C)C1
InChIInChI=1S/C11H18N2O2/c1-3-10(4-5-12)13-11(14)9-6-8(2)15-7-9/h8-10H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyFHRYRYGNEVOCDO-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
CID 114827184
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475936
N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide
CID 75485006
N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114823383
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779353
N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
CID 102677253
3-hydroxy-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824297
N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide
CID 62647796
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide (CID 114825540) is N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide is CCC(CC#N)NC(=O)C1COC(C)C1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is FHRYRYGNEVOCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10(4-5-12)13-11(14)9-6-8(2)15-7-9/h8-10H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide?
N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114825540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).