2-methylidene-N-propan-2-ylpyran-4-carboxamide

C10H13NO2 — CID 170238902

IUPAC2-methylidene-N-propan-2-ylpyran-4-carboxamide
SMILESC=C1C=C(C(=O)NC(C)C)C=CO1
InChIInChI=1S/C10H13NO2/c1-7(2)11-10(12)9-4-5-13-8(3)6-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyKTQOMCZVJDFORL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.50
Rot. Bonds2

About 2-methylidene-N-propan-2-ylpyran-4-carboxamide

2-methylidene-N-propan-2-ylpyran-4-carboxamide (PubChem CID 170238902) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methylidene-N-propan-2-ylpyran-4-carboxamide.

Molecular Properties

Compound Name2-methylidene-N-propan-2-ylpyran-4-carboxamide
PubChem CID170238902
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methylidene-N-propan-2-ylpyran-4-carboxamide
SMILESC=C1C=C(C(=O)NC(C)C)C=CO1
InChIInChI=1S/C10H13NO2/c1-7(2)11-10(12)9-4-5-13-8(3)6-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyKTQOMCZVJDFORL-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-propan-2-ylpyran-4-carboxamide?
The IUPAC name of 2-methylidene-N-propan-2-ylpyran-4-carboxamide (CID 170238902) is 2-methylidene-N-propan-2-ylpyran-4-carboxamide.
What is the SMILES notation for 2-methylidene-N-propan-2-ylpyran-4-carboxamide?
The canonical SMILES for 2-methylidene-N-propan-2-ylpyran-4-carboxamide is C=C1C=C(C(=O)NC(C)C)C=CO1.
What is the InChIKey of 2-methylidene-N-propan-2-ylpyran-4-carboxamide?
The InChIKey is KTQOMCZVJDFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)11-10(12)9-4-5-13-8(3)6-9/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methylidene-N-propan-2-ylpyran-4-carboxamide?
2-methylidene-N-propan-2-ylpyran-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-propan-2-ylpyran-4-carboxamide is sourced from PubChem (CID 170238902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).