(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde

C6H9NO2 — CID 88571405

IUPAC(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde
SMILESN[C@@H]1CC=C(C=O)OC1
InChIInChI=1S/C6H9NO2/c7-5-1-2-6(3-8)9-4-5/h2-3,5H,1,4,7H2/t5-/m1/s1
InChIKeyXMMBOZRCANABIO-RXMQYKEDSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds1

About (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde

(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde (PubChem CID 88571405) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde
PubChem CID88571405
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde
SMILESN[C@@H]1CC=C(C=O)OC1
InChIInChI=1S/C6H9NO2/c7-5-1-2-6(3-8)9-4-5/h2-3,5H,1,4,7H2/t5-/m1/s1
InChIKeyXMMBOZRCANABIO-RXMQYKEDSA-N
XLogP-0.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde?
The IUPAC name of (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde (CID 88571405) is (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde.
What is the SMILES notation for (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde?
The canonical SMILES for (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde is N[C@@H]1CC=C(C=O)OC1.
What is the InChIKey of (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde?
The InChIKey is XMMBOZRCANABIO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-1-2-6(3-8)9-4-5/h2-3,5H,1,4,7H2/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde?
(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde has a molecular weight of 127.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde is sourced from PubChem (CID 88571405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).