3-[methyl(oxolan-3-yl)amino]propanal

C8H15NO2 — CID 82742554

IUPAC3-[methyl(oxolan-3-yl)amino]propanal
SMILESCN(CCC=O)C1CCOC1
InChIInChI=1S/C8H15NO2/c1-9(4-2-5-10)8-3-6-11-7-8/h5,8H,2-4,6-7H2,1H3
InChIKeyUFLCBMBJXZMZGC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.30
Rot. Bonds4

About 3-[methyl(oxolan-3-yl)amino]propanal

3-[methyl(oxolan-3-yl)amino]propanal (PubChem CID 82742554) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)amino]propanal
PubChem CID82742554
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[methyl(oxolan-3-yl)amino]propanal
SMILESCN(CCC=O)C1CCOC1
InChIInChI=1S/C8H15NO2/c1-9(4-2-5-10)8-3-6-11-7-8/h5,8H,2-4,6-7H2,1H3
InChIKeyUFLCBMBJXZMZGC-UHFFFAOYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.30
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 3-[methyl(oxolan-3-yl)amino]propanal?
The IUPAC name of 3-[methyl(oxolan-3-yl)amino]propanal (CID 82742554) is 3-[methyl(oxolan-3-yl)amino]propanal.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)amino]propanal?
The canonical SMILES for 3-[methyl(oxolan-3-yl)amino]propanal is CN(CCC=O)C1CCOC1.
What is the InChIKey of 3-[methyl(oxolan-3-yl)amino]propanal?
The InChIKey is UFLCBMBJXZMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9(4-2-5-10)8-3-6-11-7-8/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 3-[methyl(oxolan-3-yl)amino]propanal?
3-[methyl(oxolan-3-yl)amino]propanal has a molecular weight of 157.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)amino]propanal is sourced from PubChem (CID 82742554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).