2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine

C8H15NO2 — CID 174598996

IUPAC2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine
SMILESCN(C)C.O=CC1C=COC1
InChIInChI=1S/C5H6O2.C3H9N/c6-3-5-1-2-7-4-5;1-4(2)3/h1-3,5H,4H2;1-3H3
InChIKeyRKQAJFFOQYUUDC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.52
Rot. Bonds1

About 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine

2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine (PubChem CID 174598996) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine
PubChem CID174598996
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine
SMILESCN(C)C.O=CC1C=COC1
InChIInChI=1S/C5H6O2.C3H9N/c6-3-5-1-2-7-4-5;1-4(2)3/h1-3,5H,4H2;1-3H3
InChIKeyRKQAJFFOQYUUDC-UHFFFAOYSA-N
XLogP0.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
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 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine?
The IUPAC name of 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine (CID 174598996) is 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine.
What is the SMILES notation for 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine?
The canonical SMILES for 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine is CN(C)C.O=CC1C=COC1.
What is the InChIKey of 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine?
The InChIKey is RKQAJFFOQYUUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C3H9N/c6-3-5-1-2-7-4-5;1-4(2)3/h1-3,5H,4H2;1-3H3.
What are the key properties of 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine?
2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine has a molecular weight of 157.21 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine is sourced from PubChem (CID 174598996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).