3-propan-2-yloxolane-3-carboxamide

C8H15NO2 — CID 170386865

IUPAC3-propan-2-yloxolane-3-carboxamide
SMILESCC(C)C1(C(N)=O)CCOC1
InChIInChI=1S/C8H15NO2/c1-6(2)8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyDEDQWFXCVMWUDP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds2

About 3-propan-2-yloxolane-3-carboxamide

3-propan-2-yloxolane-3-carboxamide (PubChem CID 170386865) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yloxolane-3-carboxamide
PubChem CID170386865
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-propan-2-yloxolane-3-carboxamide
SMILESCC(C)C1(C(N)=O)CCOC1
InChIInChI=1S/C8H15NO2/c1-6(2)8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyDEDQWFXCVMWUDP-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 3-propan-2-yloxolane-3-carboxamide (CID 170386865) is 3-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 3-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 3-propan-2-yloxolane-3-carboxamide is CC(C)C1(C(N)=O)CCOC1.
What is the InChIKey of 3-propan-2-yloxolane-3-carboxamide?
The InChIKey is DEDQWFXCVMWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-propan-2-yloxolane-3-carboxamide?
3-propan-2-yloxolane-3-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 170386865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).