hydrazinyl 3-(6-cyanoindol-1-yl)propanoate

C12H12N4O2 — CID 107917655

IUPAChydrazinyl 3-(6-cyanoindol-1-yl)propanoate
SMILESN#Cc1ccc2ccn(CCC(=O)ONN)c2c1
InChIInChI=1S/C12H12N4O2/c13-8-9-1-2-10-3-5-16(11(10)7-9)6-4-12(17)18-15-14/h1-3,5,7,15H,4,6,14H2
InChIKeyVSBWOHWMFIQDCP-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.82
Rot. Bonds4

About hydrazinyl 3-(6-cyanoindol-1-yl)propanoate

hydrazinyl 3-(6-cyanoindol-1-yl)propanoate (PubChem CID 107917655) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is hydrazinyl 3-(6-cyanoindol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(6-cyanoindol-1-yl)propanoate
PubChem CID107917655
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Namehydrazinyl 3-(6-cyanoindol-1-yl)propanoate
SMILESN#Cc1ccc2ccn(CCC(=O)ONN)c2c1
InChIInChI=1S/C12H12N4O2/c13-8-9-1-2-10-3-5-16(11(10)7-9)6-4-12(17)18-15-14/h1-3,5,7,15H,4,6,14H2
InChIKeyVSBWOHWMFIQDCP-UHFFFAOYSA-N
XLogP0.82
TPSA93.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-prop-2-enylindole-6-carbonitrile
CID 107917180
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-pent-4-enylindole-6-carbonitrile
CID 107917054
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
1-[2-(2-bromophenyl)-2-oxoethyl]indole-6-carbonitrile
CID 107916847

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(6-cyanoindol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(6-cyanoindol-1-yl)propanoate (CID 107917655) is hydrazinyl 3-(6-cyanoindol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(6-cyanoindol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(6-cyanoindol-1-yl)propanoate is N#Cc1ccc2ccn(CCC(=O)ONN)c2c1.
What is the InChIKey of hydrazinyl 3-(6-cyanoindol-1-yl)propanoate?
The InChIKey is VSBWOHWMFIQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-8-9-1-2-10-3-5-16(11(10)7-9)6-4-12(17)18-15-14/h1-3,5,7,15H,4,6,14H2.
What are the key properties of hydrazinyl 3-(6-cyanoindol-1-yl)propanoate?
hydrazinyl 3-(6-cyanoindol-1-yl)propanoate has a molecular weight of 244.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(6-cyanoindol-1-yl)propanoate is sourced from PubChem (CID 107917655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).