3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde

C11H19NO3 — CID 112628863

IUPAC3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCC(CO)C2)CCOC1
InChIInChI=1S/C11H19NO3/c13-6-10-1-3-12(5-10)7-11(8-14)2-4-15-9-11/h8,10,13H,1-7,9H2
InChIKeyBUKUJOUSBMYJFM-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.09
Rot. Bonds4

About 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde

3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde (PubChem CID 112628863) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
PubChem CID112628863
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCC(CO)C2)CCOC1
InChIInChI=1S/C11H19NO3/c13-6-10-1-3-12(5-10)7-11(8-14)2-4-15-9-11/h8,10,13H,1-7,9H2
InChIKeyBUKUJOUSBMYJFM-UHFFFAOYSA-N
XLogP-0.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
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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Related Compounds

1-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 112628845
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 82690939
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
CID 115561832
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
CID 55051211
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
CID 102936290
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
CID 114780218
3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
CID 62278460
4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 55066134
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]oxolane-3-carbaldehyde
CID 116638064
3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62277704
1-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 114800018

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde (CID 112628863) is 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCC(CO)C2)CCOC1.
What is the InChIKey of 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde?
The InChIKey is BUKUJOUSBMYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-6-10-1-3-12(5-10)7-11(8-14)2-4-15-9-11/h8,10,13H,1-7,9H2.
What are the key properties of 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde?
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 112628863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).