3-(3-chloroindol-1-yl)propanal

C11H10ClNO — CID 63041534

IUPAC3-(3-chloroindol-1-yl)propanal
SMILESO=CCCn1cc(Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO/c12-10-8-13(6-3-7-14)11-5-2-1-4-9(10)11/h1-2,4-5,7-8H,3,6H2
InChIKeyOSBQJHDSVPAGRY-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.88
Rot. Bonds3

About 3-(3-chloroindol-1-yl)propanal

3-(3-chloroindol-1-yl)propanal (PubChem CID 63041534) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(3-chloroindol-1-yl)propanal.

Molecular Properties

Compound Name3-(3-chloroindol-1-yl)propanal
PubChem CID63041534
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name3-(3-chloroindol-1-yl)propanal
SMILESO=CCCn1cc(Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO/c12-10-8-13(6-3-7-14)11-5-2-1-4-9(10)11/h1-2,4-5,7-8H,3,6H2
InChIKeyOSBQJHDSVPAGRY-UHFFFAOYSA-N
XLogP2.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.88
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

3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
CID 62804121
3-chloro-1-(2-methylpropyl)indole
CID 174585966
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
4-bromo-N-[2-(3-chloroindol-1-yl)ethyl]aniline
CID 63505033
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
N-(2-butoxyethyl)-2-(3-chloroindol-1-yl)ethanamine
CID 62803775
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62804293
2-(3-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62804114
[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine
CID 55119869
2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63566698

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroindol-1-yl)propanal?
The IUPAC name of 3-(3-chloroindol-1-yl)propanal (CID 63041534) is 3-(3-chloroindol-1-yl)propanal.
What is the SMILES notation for 3-(3-chloroindol-1-yl)propanal?
The canonical SMILES for 3-(3-chloroindol-1-yl)propanal is O=CCCn1cc(Cl)c2ccccc21.
What is the InChIKey of 3-(3-chloroindol-1-yl)propanal?
The InChIKey is OSBQJHDSVPAGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-10-8-13(6-3-7-14)11-5-2-1-4-9(10)11/h1-2,4-5,7-8H,3,6H2.
What are the key properties of 3-(3-chloroindol-1-yl)propanal?
3-(3-chloroindol-1-yl)propanal has a molecular weight of 207.66 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroindol-1-yl)propanal is sourced from PubChem (CID 63041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).