(2S)-3,4-dihydro-2H-pyran-2-carboxamide

C6H9NO2 — CID 92975430

IUPAC(2S)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESNC(=O)[C@@H]1CCC=CO1
InChIInChI=1S/C6H9NO2/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H2,7,8)/t5-/m0/s1
InChIKeyARLWMQMHHIPRCO-YFKPBYRVSA-N
MW127.14 g/mol
LogP0.16
Rot. Bonds1

About (2S)-3,4-dihydro-2H-pyran-2-carboxamide

(2S)-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 92975430) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2S)-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound Name(2S)-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID92975430
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2S)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESNC(=O)[C@@H]1CCC=CO1
InChIInChI=1S/C6H9NO2/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H2,7,8)/t5-/m0/s1
InChIKeyARLWMQMHHIPRCO-YFKPBYRVSA-N
XLogP0.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-2H-pyran-2-carboxamide
CID 13598071
N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131225571
5-bromo-3,4-dihydro-2H-pyran-2-carboxamide
CID 13598072
2-Methyl-3,4-dihydropyran-2-carboxamide
CID 55290198
(2R)-3,4-dihydro-2H-pyran-2-carboxamide
CID 55290544

Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of (2S)-3,4-dihydro-2H-pyran-2-carboxamide (CID 92975430) is (2S)-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for (2S)-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for (2S)-3,4-dihydro-2H-pyran-2-carboxamide is NC(=O)[C@@H]1CCC=CO1.
What is the InChIKey of (2S)-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is ARLWMQMHHIPRCO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H2,7,8)/t5-/m0/s1.
What are the key properties of (2S)-3,4-dihydro-2H-pyran-2-carboxamide?
(2S)-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 127.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 92975430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).