3-(5-chloroindol-1-yl)propanehydrazide

C11H12ClN3O — CID 63878514

IUPAC3-(5-chloroindol-1-yl)propanehydrazide
SMILESNNC(=O)CCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClN3O/c12-9-1-2-10-8(7-9)3-5-15(10)6-4-11(16)14-13/h1-3,5,7H,4,6,13H2,(H,14,16)
InChIKeyWSXDGAITWXWEEZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.67
Rot. Bonds3

About 3-(5-chloroindol-1-yl)propanehydrazide

3-(5-chloroindol-1-yl)propanehydrazide (PubChem CID 63878514) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)propanehydrazide
PubChem CID63878514
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-(5-chloroindol-1-yl)propanehydrazide
SMILESNNC(=O)CCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClN3O/c12-9-1-2-10-8(7-9)3-5-15(10)6-4-11(16)14-13/h1-3,5,7H,4,6,13H2,(H,14,16)
InChIKeyWSXDGAITWXWEEZ-UHFFFAOYSA-N
XLogP1.67
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;2-(5-chloroindol-1-yl)ethanamine
CID 18986305
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
CID 157439819
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
3-(1H-pyrazol-4-yl)propyl 3-(5-chloroindol-1-yl)propanoate
CID 166192151
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856
methyl 2-amino-3-(5-chloroindol-1-yl)propanoate
CID 68851611
N-[2-(5-chloroindol-1-yl)ethyl]but-2-ynamide
CID 146075811
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
CID 53264328

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)propanehydrazide?
The IUPAC name of 3-(5-chloroindol-1-yl)propanehydrazide (CID 63878514) is 3-(5-chloroindol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(5-chloroindol-1-yl)propanehydrazide?
The canonical SMILES for 3-(5-chloroindol-1-yl)propanehydrazide is NNC(=O)CCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloroindol-1-yl)propanehydrazide?
The InChIKey is WSXDGAITWXWEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-1-2-10-8(7-9)3-5-15(10)6-4-11(16)14-13/h1-3,5,7H,4,6,13H2,(H,14,16).
What are the key properties of 3-(5-chloroindol-1-yl)propanehydrazide?
3-(5-chloroindol-1-yl)propanehydrazide has a molecular weight of 237.69 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)propanehydrazide is sourced from PubChem (CID 63878514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).