N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide

C8H9NO4 — CID 54748756

IUPACN-ethyl-3-hydroxy-4-oxopyran-2-carboxamide
SMILESCCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C8H9NO4/c1-2-9-8(12)7-6(11)5(10)3-4-13-7/h3-4,11H,2H2,1H3,(H,9,12)
InChIKeyZAKSSCMXLGICFO-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.10
Rot. Bonds2

About N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide

N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 54748756) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-oxopyran-2-carboxamide
PubChem CID54748756
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN-ethyl-3-hydroxy-4-oxopyran-2-carboxamide
SMILESCCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C8H9NO4/c1-2-9-8(12)7-6(11)5(10)3-4-13-7/h3-4,11H,2H2,1H3,(H,9,12)
InChIKeyZAKSSCMXLGICFO-UHFFFAOYSA-N
XLogP0.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.10
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-[(propan-2-ylamino)methyl]pyran-4-one
CID 130407858
3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide
CID 130423211
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
4-amino-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]butanamide
CID 90672505
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
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696509

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide (CID 54748756) is N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide is CCNC(=O)c1occc(=O)c1O.
What is the InChIKey of N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is ZAKSSCMXLGICFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-9-8(12)7-6(11)5(10)3-4-13-7/h3-4,11H,2H2,1H3,(H,9,12).
What are the key properties of N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide?
N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 183.16 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 54748756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).