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

C11H19NO3 — CID 62277416

IUPAC3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN(CCO)C2CC2)CCOC1
InChIInChI=1S/C11H19NO3/c13-5-4-12(10-1-2-10)7-11(8-14)3-6-15-9-11/h8,10,13H,1-7,9H2
InChIKeyMNPPKFUBLOXPRP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.05
Rot. Bonds6

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

3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62277416) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62277416
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN(CCO)C2CC2)CCOC1
InChIInChI=1S/C11H19NO3/c13-5-4-12(10-1-2-10)7-11(8-14)3-6-15-9-11/h8,10,13H,1-7,9H2
InChIKeyMNPPKFUBLOXPRP-UHFFFAOYSA-N
XLogP0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.05
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-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde (CID 62277416) is 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde is O=CC1(CN(CCO)C2CC2)CCOC1.
What is the InChIKey of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is MNPPKFUBLOXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-5-4-12(10-1-2-10)7-11(8-14)3-6-15-9-11/h8,10,13H,1-7,9H2.
What are the key properties of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62277416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).