6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde

C15H16ClNO2 — CID 103136229

IUPAC6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde
SMILESCC1CCC(Cn2cc(C=O)c3ccc(Cl)cc32)O1
InChIInChI=1S/C15H16ClNO2/c1-10-2-4-13(19-10)8-17-7-11(9-18)14-5-3-12(16)6-15(14)17/h3,5-7,9-10,13H,2,4,8H2,1H3
InChIKeyAEIFBGSKIOQUIP-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.67
Rot. Bonds3

About 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde

6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde (PubChem CID 103136229) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde
PubChem CID103136229
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde
SMILESCC1CCC(Cn2cc(C=O)c3ccc(Cl)cc32)O1
InChIInChI=1S/C15H16ClNO2/c1-10-2-4-13(19-10)8-17-7-11(9-18)14-5-3-12(16)6-15(14)17/h3,5-7,9-10,13H,2,4,8H2,1H3
InChIKeyAEIFBGSKIOQUIP-UHFFFAOYSA-N
XLogP3.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde?
The IUPAC name of 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde (CID 103136229) is 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde is CC1CCC(Cn2cc(C=O)c3ccc(Cl)cc32)O1.
What is the InChIKey of 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde?
The InChIKey is AEIFBGSKIOQUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-2-4-13(19-10)8-17-7-11(9-18)14-5-3-12(16)6-15(14)17/h3,5-7,9-10,13H,2,4,8H2,1H3.
What are the key properties of 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde?
6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde has a molecular weight of 277.75 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 103136229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).