3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde

C12H17NO3 — CID 62277189

IUPAC3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCN(Cc1ccoc1)CC1(C=O)CCOC1
InChIInChI=1S/C12H17NO3/c1-13(6-11-2-4-15-7-11)8-12(9-14)3-5-16-10-12/h2,4,7,9H,3,5-6,8,10H2,1H3
InChIKeyZPOJPUOIPRNQMS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.32
Rot. Bonds5

About 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde

3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62277189) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62277189
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCN(Cc1ccoc1)CC1(C=O)CCOC1
InChIInChI=1S/C12H17NO3/c1-13(6-11-2-4-15-7-11)8-12(9-14)3-5-16-10-12/h2,4,7,9H,3,5-6,8,10H2,1H3
InChIKeyZPOJPUOIPRNQMS-UHFFFAOYSA-N
XLogP1.32
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277927
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
CID 62277796
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62391166
3-[[(3-chlorophenyl)methyl-methylamino]methyl]oxane-3-carbaldehyde
CID 63739911
1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65458432
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
N-[[1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 62259646
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
CID 62275696
1-(furan-3-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143134
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde (CID 62277189) is 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde is CN(Cc1ccoc1)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is ZPOJPUOIPRNQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(6-11-2-4-15-7-11)8-12(9-14)3-5-16-10-12/h2,4,7,9H,3,5-6,8,10H2,1H3.
What are the key properties of 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 223.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62277189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).