N-ethyl-2H-pyran-4-carboxamide

C8H11NO2 — CID 57314573

IUPACN-ethyl-2H-pyran-4-carboxamide
SMILESCCNC(=O)C1=CCOC=C1
InChIInChI=1S/C8H11NO2/c1-2-9-8(10)7-3-5-11-6-4-7/h3-5H,2,6H2,1H3,(H,9,10)
InChIKeyRLEDMVUVNVRKSR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds2

About N-ethyl-2H-pyran-4-carboxamide

N-ethyl-2H-pyran-4-carboxamide (PubChem CID 57314573) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-ethyl-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2H-pyran-4-carboxamide
PubChem CID57314573
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-ethyl-2H-pyran-4-carboxamide
SMILESCCNC(=O)C1=CCOC=C1
InChIInChI=1S/C8H11NO2/c1-2-9-8(10)7-3-5-11-6-4-7/h3-5H,2,6H2,1H3,(H,9,10)
InChIKeyRLEDMVUVNVRKSR-UHFFFAOYSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2H-pyran-4-carboxamide?
The IUPAC name of N-ethyl-2H-pyran-4-carboxamide (CID 57314573) is N-ethyl-2H-pyran-4-carboxamide.
What is the SMILES notation for N-ethyl-2H-pyran-4-carboxamide?
The canonical SMILES for N-ethyl-2H-pyran-4-carboxamide is CCNC(=O)C1=CCOC=C1.
What is the InChIKey of N-ethyl-2H-pyran-4-carboxamide?
The InChIKey is RLEDMVUVNVRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-9-8(10)7-3-5-11-6-4-7/h3-5H,2,6H2,1H3,(H,9,10).
What are the key properties of N-ethyl-2H-pyran-4-carboxamide?
N-ethyl-2H-pyran-4-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2H-pyran-4-carboxamide is sourced from PubChem (CID 57314573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).