N-methylpyran-2-carboxamide;molecular hydrogen

C7H9NO2 — CID 176531410

IUPACN-methylpyran-2-carboxamide;molecular hydrogen
SMILESCNC(=O)C1=CC=C=CO1.[H][H]
InChIInChI=1S/C7H7NO2.H2/c1-8-7(9)6-4-2-3-5-10-6;/h2,4-5H,1H3,(H,8,9);1H
InChIKeyMAVACHLMLAWXBF-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.56
Rot. Bonds1

About N-methylpyran-2-carboxamide;molecular hydrogen

N-methylpyran-2-carboxamide;molecular hydrogen (PubChem CID 176531410) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is N-methylpyran-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methylpyran-2-carboxamide;molecular hydrogen
PubChem CID176531410
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC NameN-methylpyran-2-carboxamide;molecular hydrogen
SMILESCNC(=O)C1=CC=C=CO1.[H][H]
InChIInChI=1S/C7H7NO2.H2/c1-8-7(9)6-4-2-3-5-10-6;/h2,4-5H,1H3,(H,8,9);1H
InChIKeyMAVACHLMLAWXBF-UHFFFAOYSA-N
XLogP0.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3,5-Dimethoxypyridin-2(1H)-one
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2(1H)-Pyridinone, 3-(1-methylethoxy)-
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3-propoxy-1H-pyridin-2-one
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N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
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3-Ethoxypyridin-2(1H)-one
CID 68698502
3-butoxy-1H-pyridin-2-one
CID 82056020
N-methyl-2-propoxybut-2-enamide
CID 88187241
3-(3-methoxypropoxy)-1H-pyridin-2-one
CID 89135377
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833

Frequently Asked Questions

What is the IUPAC name of N-methylpyran-2-carboxamide;molecular hydrogen?
The IUPAC name of N-methylpyran-2-carboxamide;molecular hydrogen (CID 176531410) is N-methylpyran-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methylpyran-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-methylpyran-2-carboxamide;molecular hydrogen is CNC(=O)C1=CC=C=CO1.[H][H].
What is the InChIKey of N-methylpyran-2-carboxamide;molecular hydrogen?
The InChIKey is MAVACHLMLAWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.H2/c1-8-7(9)6-4-2-3-5-10-6;/h2,4-5H,1H3,(H,8,9);1H.
What are the key properties of N-methylpyran-2-carboxamide;molecular hydrogen?
N-methylpyran-2-carboxamide;molecular hydrogen has a molecular weight of 139.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyran-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 176531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).