N-(2-cyanopropyl)oxolane-3-carboxamide

C9H14N2O2 — CID 62653672

IUPACN-(2-cyanopropyl)oxolane-3-carboxamide
SMILESCC(C#N)CNC(=O)C1CCOC1
InChIInChI=1S/C9H14N2O2/c1-7(4-10)5-11-9(12)8-2-3-13-6-8/h7-8H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyRKTVOWCENGCZPI-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.30
Rot. Bonds3

About N-(2-cyanopropyl)oxolane-3-carboxamide

N-(2-cyanopropyl)oxolane-3-carboxamide (PubChem CID 62653672) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(2-cyanopropyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)oxolane-3-carboxamide
PubChem CID62653672
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(2-cyanopropyl)oxolane-3-carboxamide
SMILESCC(C#N)CNC(=O)C1CCOC1
InChIInChI=1S/C9H14N2O2/c1-7(4-10)5-11-9(12)8-2-3-13-6-8/h7-8H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyRKTVOWCENGCZPI-UHFFFAOYSA-N
XLogP0.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)oxolane-3-carboxamide (CID 62653672) is N-(2-cyanopropyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)oxolane-3-carboxamide is CC(C#N)CNC(=O)C1CCOC1.
What is the InChIKey of N-(2-cyanopropyl)oxolane-3-carboxamide?
The InChIKey is RKTVOWCENGCZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(4-10)5-11-9(12)8-2-3-13-6-8/h7-8H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of N-(2-cyanopropyl)oxolane-3-carboxamide?
N-(2-cyanopropyl)oxolane-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)oxolane-3-carboxamide is sourced from PubChem (CID 62653672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).