3-hydroxy-4-oxo-N-propylpyran-2-carboxamide

C9H11NO4 — CID 143761978

IUPAC3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
SMILESCCCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C9H11NO4/c1-2-4-10-9(13)8-7(12)6(11)3-5-14-8/h3,5,12H,2,4H2,1H3,(H,10,13)
InChIKeyXJEMVLZGHVXAOB-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.49
Rot. Bonds3

About 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide

3-hydroxy-4-oxo-N-propylpyran-2-carboxamide (PubChem CID 143761978) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
PubChem CID143761978
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
SMILESCCCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C9H11NO4/c1-2-4-10-9(13)8-7(12)6(11)3-5-14-8/h3,5,12H,2,4H2,1H3,(H,10,13)
InChIKeyXJEMVLZGHVXAOB-UHFFFAOYSA-N
XLogP0.49
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
5-Hydroxy-2-[(2-methylpropylamino)methyl]pyran-4-one
CID 130407941
2-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide
CID 21524750
2-amino-N-[(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]Acetamide
CID 21524751
3-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]propanamide
CID 90672504
N-ethyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carboxamide
CID 54748742
N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide
CID 90672505
2-Methoxy-3,6-dioxocyclohexa-1,4-dienecarboxylic acid (2-hydroxyethyl)-amide
CID 129850788
5-hydroxy-N-methyl-4-oxo-N-prop-2-enylpyran-2-carboxamide
CID 135077053
N-cyclopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378251
N-[4-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)oxybutyl]prop-2-enamide
CID 20214152

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide?
The IUPAC name of 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide (CID 143761978) is 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide is CCCNC(=O)c1occc(=O)c1O.
What is the InChIKey of 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide?
The InChIKey is XJEMVLZGHVXAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-4-10-9(13)8-7(12)6(11)3-5-14-8/h3,5,12H,2,4H2,1H3,(H,10,13).
What are the key properties of 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide?
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-N-propylpyran-2-carboxamide is sourced from PubChem (CID 143761978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).