hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate

C12H14BrN3O2 — CID 66338796

IUPAChydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate
SMILESCc1c(Br)c2ccccc2n1CCC(=O)ONN
InChIInChI=1S/C12H14BrN3O2/c1-8-12(13)9-4-2-3-5-10(9)16(8)7-6-11(17)18-15-14/h2-5,15H,6-7,14H2,1H3
InChIKeyFWHMRYQRMUVZFB-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.02
Rot. Bonds4

About hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate

hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate (PubChem CID 66338796) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate
PubChem CID66338796
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Namehydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate
SMILESCc1c(Br)c2ccccc2n1CCC(=O)ONN
InChIInChI=1S/C12H14BrN3O2/c1-8-12(13)9-4-2-3-5-10(9)16(8)7-6-11(17)18-15-14/h2-5,15H,6-7,14H2,1H3
InChIKeyFWHMRYQRMUVZFB-UHFFFAOYSA-N
XLogP2.02
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
2-(3-bromo-2-methylindol-1-yl)ethanamine
CID 62830447
1-(3-bromo-2-methylindol-1-yl)-3-methoxypropan-2-one
CID 107507755
3-(3-bromo-2-methylindol-1-yl)propanal
CID 63038889
4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine
CID 62828884
2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone
CID 63568306
(4-acetamidophenyl) 2-(3-bromo-2-methylindol-1-yl)acetate
CID 60551156
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
N-[2-(3-bromo-2-methylindol-1-yl)ethyl]-4-methylaniline
CID 63505677
5-[(3-bromo-2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid
CID 62829407
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate (CID 66338796) is hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate is Cc1c(Br)c2ccccc2n1CCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate?
The InChIKey is FWHMRYQRMUVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-12(13)9-4-2-3-5-10(9)16(8)7-6-11(17)18-15-14/h2-5,15H,6-7,14H2,1H3.
What are the key properties of hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate?
hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate has a molecular weight of 312.17 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate is sourced from PubChem (CID 66338796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).