N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide

C9H14N2O2 — CID 130736791

IUPACN-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N[C@H](C)C#N)O1
InChIInChI=1S/C9H14N2O2/c1-6(5-10)11-9(12)8-4-3-7(2)13-8/h6-8H,3-4H2,1-2H3,(H,11,12)/t6-,7?,8?/m1/s1
InChIKeyBFUPAAFKDPFOCJ-JECWYVHBSA-N
MW182.22 g/mol
LogP0.58
Rot. Bonds2

About N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide

N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide (PubChem CID 130736791) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
PubChem CID130736791
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N[C@H](C)C#N)O1
InChIInChI=1S/C9H14N2O2/c1-6(5-10)11-9(12)8-4-3-7(2)13-8/h6-8H,3-4H2,1-2H3,(H,11,12)/t6-,7?,8?/m1/s1
InChIKeyBFUPAAFKDPFOCJ-JECWYVHBSA-N
XLogP0.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide (CID 130736791) is N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)N[C@H](C)C#N)O1.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide?
The InChIKey is BFUPAAFKDPFOCJ-JECWYVHBSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(5-10)11-9(12)8-4-3-7(2)13-8/h6-8H,3-4H2,1-2H3,(H,11,12)/t6-,7?,8?/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide?
N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 130736791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).