5-(5-propoxyindol-1-yl)pentanehydrazide

C16H23N3O2 — CID 80649567

IUPAC5-(5-propoxyindol-1-yl)pentanehydrazide
SMILESCCCOc1ccc2c(ccn2CCCCC(=O)NN)c1
InChIInChI=1S/C16H23N3O2/c1-2-11-21-14-6-7-15-13(12-14)8-10-19(15)9-4-3-5-16(20)18-17/h6-8,10,12H,2-5,9,11,17H2,1H3,(H,18,20)
InChIKeyYTYONADUODPOAT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds8

About 5-(5-propoxyindol-1-yl)pentanehydrazide

5-(5-propoxyindol-1-yl)pentanehydrazide (PubChem CID 80649567) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(5-propoxyindol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(5-propoxyindol-1-yl)pentanehydrazide
PubChem CID80649567
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-(5-propoxyindol-1-yl)pentanehydrazide
SMILESCCCOc1ccc2c(ccn2CCCCC(=O)NN)c1
InChIInChI=1S/C16H23N3O2/c1-2-11-21-14-6-7-15-13(12-14)8-10-19(15)9-4-3-5-16(20)18-17/h6-8,10,12H,2-5,9,11,17H2,1H3,(H,18,20)
InChIKeyYTYONADUODPOAT-UHFFFAOYSA-N
XLogP2.59
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
propyl 5-(5-hydroxyindol-1-yl)pentanoate
CID 142923299
(Z)-2-ethyl-4-(5-propoxyindol-1-yl)but-2-enoic acid
CID 80648941
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064

Frequently Asked Questions

What is the IUPAC name of 5-(5-propoxyindol-1-yl)pentanehydrazide?
The IUPAC name of 5-(5-propoxyindol-1-yl)pentanehydrazide (CID 80649567) is 5-(5-propoxyindol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(5-propoxyindol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(5-propoxyindol-1-yl)pentanehydrazide is CCCOc1ccc2c(ccn2CCCCC(=O)NN)c1.
What is the InChIKey of 5-(5-propoxyindol-1-yl)pentanehydrazide?
The InChIKey is YTYONADUODPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-11-21-14-6-7-15-13(12-14)8-10-19(15)9-4-3-5-16(20)18-17/h6-8,10,12H,2-5,9,11,17H2,1H3,(H,18,20).
What are the key properties of 5-(5-propoxyindol-1-yl)pentanehydrazide?
5-(5-propoxyindol-1-yl)pentanehydrazide has a molecular weight of 289.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propoxyindol-1-yl)pentanehydrazide is sourced from PubChem (CID 80649567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).