2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde

C12H17NO2 — CID 82729133

IUPAC2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C1CCOC1C
InChIInChI=1S/C12H17NO2/c1-8-6-11(7-14)9(2)13(8)12-4-5-15-10(12)3/h6-7,10,12H,4-5H2,1-3H3
InChIKeyJLLYNIDJMGFROP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.27
Rot. Bonds2

About 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde

2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde (PubChem CID 82729133) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
PubChem CID82729133
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C1CCOC1C
InChIInChI=1S/C12H17NO2/c1-8-6-11(7-14)9(2)13(8)12-4-5-15-10(12)3/h6-7,10,12H,4-5H2,1-3H3
InChIKeyJLLYNIDJMGFROP-UHFFFAOYSA-N
XLogP2.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 64910440
1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 83015341
2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde
CID 107418791
1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 61024491
2,5-dimethyl-1-(thiolan-2-ylmethyl)pyrrole-3-carbaldehyde
CID 80585438
6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728094
5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729176
3-(3-formyl-2,5-dimethylpyrrol-1-yl)propanamide
CID 43553582
2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile
CID 39869824
1-[(3-methoxyoxolan-3-yl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 104761901
2,5-dimethyl-1-(1,3,4-thiadiazol-2-yl)pyrrole-3-carbaldehyde
CID 107648958
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid
CID 6235481

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde (CID 82729133) is 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1C1CCOC1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde?
The InChIKey is JLLYNIDJMGFROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-11(7-14)9(2)13(8)12-4-5-15-10(12)3/h6-7,10,12H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde has a molecular weight of 207.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 82729133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).