5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide

C14H16BrN3O2 — CID 63578508

IUPAC5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(Cn2ccc3ccc(Br)cc32)O1
InChIInChI=1S/C14H16BrN3O2/c15-10-2-1-9-5-6-18(12(9)7-10)8-11-3-4-13(20-11)14(19)17-16/h1-2,5-7,11,13H,3-4,8,16H2,(H,17,19)
InChIKeyMQIDTDOVTCICBC-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.94
Rot. Bonds3

About 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide

5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63578508) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63578508
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(Cn2ccc3ccc(Br)cc32)O1
InChIInChI=1S/C14H16BrN3O2/c15-10-2-1-9-5-6-18(12(9)7-10)8-11-3-4-13(20-11)14(19)17-16/h1-2,5-7,11,13H,3-4,8,16H2,(H,17,19)
InChIKeyMQIDTDOVTCICBC-UHFFFAOYSA-N
XLogP1.94
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide
CID 104735553
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63795266
6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909478
1-[2-(6-bromoindol-1-yl)ethyl]triazole-4-carbohydrazide
CID 63578339
(2S,5R)-5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 120782948
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[(4-aminophenyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63591696
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide (CID 63578508) is 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(Cn2ccc3ccc(Br)cc32)O1.
What is the InChIKey of 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is MQIDTDOVTCICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-10-2-1-9-5-6-18(12(9)7-10)8-11-3-4-13(20-11)14(19)17-16/h1-2,5-7,11,13H,3-4,8,16H2,(H,17,19).
What are the key properties of 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 338.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63578508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).