2-propan-2-yloxane-4-carboxamide

C9H17NO2 — CID 12798678

IUPAC2-propan-2-yloxane-4-carboxamide
SMILESCC(C)C1CC(C(N)=O)CCO1
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-7(9(10)11)3-4-12-8/h6-8H,3-5H2,1-2H3,(H2,10,11)
InChIKeyPXZXFIXKXPWNHU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds2

About 2-propan-2-yloxane-4-carboxamide

2-propan-2-yloxane-4-carboxamide (PubChem CID 12798678) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yloxane-4-carboxamide
PubChem CID12798678
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-propan-2-yloxane-4-carboxamide
SMILESCC(C)C1CC(C(N)=O)CCO1
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-7(9(10)11)3-4-12-8/h6-8H,3-5H2,1-2H3,(H2,10,11)
InChIKeyPXZXFIXKXPWNHU-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxane-4-carboxamide?
The IUPAC name of 2-propan-2-yloxane-4-carboxamide (CID 12798678) is 2-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for 2-propan-2-yloxane-4-carboxamide?
The canonical SMILES for 2-propan-2-yloxane-4-carboxamide is CC(C)C1CC(C(N)=O)CCO1.
What is the InChIKey of 2-propan-2-yloxane-4-carboxamide?
The InChIKey is PXZXFIXKXPWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8-5-7(9(10)11)3-4-12-8/h6-8H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 2-propan-2-yloxane-4-carboxamide?
2-propan-2-yloxane-4-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 12798678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).