3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde

C10H17NO3 — CID 62276551

IUPAC3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCOCC2)CCOC1
InChIInChI=1S/C10H17NO3/c12-8-10(1-4-14-9-10)7-11-2-5-13-6-3-11/h8H,1-7,9H2
InChIKeyYNQKNTRPVOENJM-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.08
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde

3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde (PubChem CID 62276551) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde
PubChem CID62276551
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCOCC2)CCOC1
InChIInChI=1S/C10H17NO3/c12-8-10(1-4-14-9-10)7-11-2-5-13-6-3-11/h8H,1-7,9H2
InChIKeyYNQKNTRPVOENJM-UHFFFAOYSA-N
XLogP-0.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
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-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde (CID 62276551) is 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde is O=CC1(CN2CCOCC2)CCOC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde?
The InChIKey is YNQKNTRPVOENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-8-10(1-4-14-9-10)7-11-2-5-13-6-3-11/h8H,1-7,9H2.
What are the key properties of 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde?
3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 62276551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).