3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde

C10H19NO3 — CID 62275650

IUPAC3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCN(CCO)CC1(C=O)CCOC1
InChIInChI=1S/C10H19NO3/c1-2-11(4-5-12)7-10(8-13)3-6-14-9-10/h8,12H,2-7,9H2,1H3
InChIKeyMKGKKSOXIGNTAF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.09
Rot. Bonds6

About 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde

3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62275650) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62275650
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCN(CCO)CC1(C=O)CCOC1
InChIInChI=1S/C10H19NO3/c1-2-11(4-5-12)7-10(8-13)3-6-14-9-10/h8,12H,2-7,9H2,1H3
InChIKeyMKGKKSOXIGNTAF-UHFFFAOYSA-N
XLogP-0.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde (CID 62275650) is 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde is CCN(CCO)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is MKGKKSOXIGNTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11(4-5-12)7-10(8-13)3-6-14-9-10/h8,12H,2-7,9H2,1H3.
What are the key properties of 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).