1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde

C15H15NO2 — CID 15530930

IUPAC1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde
SMILESCn1c(C=O)cc2c1-c1ccccc1OC2(C)C
InChIInChI=1S/C15H15NO2/c1-15(2)12-8-10(9-17)16(3)14(12)11-6-4-5-7-13(11)18-15/h4-9H,1-3H3
InChIKeyKVFWVGQFXOJFFU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.13
Rot. Bonds1

About 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde

1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde (PubChem CID 15530930) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde
PubChem CID15530930
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde
SMILESCn1c(C=O)cc2c1-c1ccccc1OC2(C)C
InChIInChI=1S/C15H15NO2/c1-15(2)12-8-10(9-17)16(3)14(12)11-6-4-5-7-13(11)18-15/h4-9H,1-3H3
InChIKeyKVFWVGQFXOJFFU-UHFFFAOYSA-N
XLogP3.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde?
The IUPAC name of 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde (CID 15530930) is 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde is Cn1c(C=O)cc2c1-c1ccccc1OC2(C)C.
What is the InChIKey of 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde?
The InChIKey is KVFWVGQFXOJFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(2)12-8-10(9-17)16(3)14(12)11-6-4-5-7-13(11)18-15/h4-9H,1-3H3.
What are the key properties of 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde?
1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethylchromeno[4,3-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 15530930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).