7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde

C13H14ClNO — CID 77230868

IUPAC7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde
SMILESCc1ccc(Cl)c2c1c(C=O)cn2C(C)C
InChIInChI=1S/C13H14ClNO/c1-8(2)15-6-10(7-16)12-9(3)4-5-11(14)13(12)15/h4-8H,1-3H3
InChIKeyRJJHOVAEJZHEHJ-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.00
Rot. Bonds2

About 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde

7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde (PubChem CID 77230868) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde
PubChem CID77230868
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde
SMILESCc1ccc(Cl)c2c1c(C=O)cn2C(C)C
InChIInChI=1S/C13H14ClNO/c1-8(2)15-6-10(7-16)12-9(3)4-5-11(14)13(12)15/h4-8H,1-3H3
InChIKeyRJJHOVAEJZHEHJ-UHFFFAOYSA-N
XLogP4.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Jwh-398
CID 57458928
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
1-Methyl-1H-indole-3-carbaldehyde
CID 87894
Oncrasin 1
CID 872445
2-(3-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397713
1-(2-chloro-6-fluorobenzyl)-1H-indole-3-carbaldehyde
CID 775547
5-chloro-1H-indole-3-carbaldehyde
CID 2795374
6-Chloro-1H-indole-3-carboxaldehyde
CID 12614669
1-(2,4-dichlorobenzyl)-1H-indole-3-carbaldehyde
CID 873071
1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde
CID 775540
(4-Chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
1-(propan-2-yl)-1H-indole-3-carbaldehyde
CID 801695

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde?
The IUPAC name of 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde (CID 77230868) is 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde.
What is the SMILES notation for 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde?
The canonical SMILES for 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde is Cc1ccc(Cl)c2c1c(C=O)cn2C(C)C.
What is the InChIKey of 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde?
The InChIKey is RJJHOVAEJZHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8(2)15-6-10(7-16)12-9(3)4-5-11(14)13(12)15/h4-8H,1-3H3.
What are the key properties of 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde?
7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde has a molecular weight of 235.71 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1-propan-2-ylindole-3-carbaldehyde is sourced from PubChem (CID 77230868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).