2-methyl-N-propan-2-yloxolane-3-carboxamide

C9H17NO2 — CID 79758681

IUPAC2-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)NC(=O)C1CCOC1C
InChIInChI=1S/C9H17NO2/c1-6(2)10-9(11)8-4-5-12-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyBCFMTUUHTNPUCK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About 2-methyl-N-propan-2-yloxolane-3-carboxamide

2-methyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 79758681) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID79758681
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)NC(=O)C1CCOC1C
InChIInChI=1S/C9H17NO2/c1-6(2)10-9(11)8-4-5-12-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyBCFMTUUHTNPUCK-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-propan-2-yloxolane-3-carboxamide (CID 79758681) is 2-methyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-propan-2-yloxolane-3-carboxamide is CC(C)NC(=O)C1CCOC1C.
What is the InChIKey of 2-methyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is BCFMTUUHTNPUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)10-9(11)8-4-5-12-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-N-propan-2-yloxolane-3-carboxamide?
2-methyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 79758681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).