1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone

C7H9NO2 — CID 91348216

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone
SMILES[H]/N=C/C(=O)C1CCC=CO1
InChIInChI=1S/C7H9NO2/c8-5-6(9)7-3-1-2-4-10-7/h2,4-5,7-8H,1,3H2/b8-5+
InChIKeyNYMYPBUKSVOQCW-VMPITWQZSA-N
MW139.15 g/mol
LogP0.90
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone

1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone (PubChem CID 91348216) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone
PubChem CID91348216
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone
SMILES[H]/N=C/C(=O)C1CCC=CO1
InChIInChI=1S/C7H9NO2/c8-5-6(9)7-3-1-2-4-10-7/h2,4-5,7-8H,1,3H2/b8-5+
InChIKeyNYMYPBUKSVOQCW-VMPITWQZSA-N
XLogP0.90
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Diazonio-1-(3,4-dihydro-2H-pyran-2-yl)ethen-1-olate
CID 71333043

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone (CID 91348216) is 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone is [H]/N=C/C(=O)C1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone?
The InChIKey is NYMYPBUKSVOQCW-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9NO2/c8-5-6(9)7-3-1-2-4-10-7/h2,4-5,7-8H,1,3H2/b8-5+.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone?
1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone has a molecular weight of 139.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-2-iminoethanone is sourced from PubChem (CID 91348216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).