N-[2-(1H-indol-3-yl)ethyl]acetohydrazide

C12H15N3O — CID 141443100

IUPACN-[2-(1H-indol-3-yl)ethyl]acetohydrazide
SMILESCC(=O)N(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O/c1-9(16)15(13)7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,13H2,1H3
InChIKeyPISKXMDCWTVBCO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds3

About N-[2-(1H-indol-3-yl)ethyl]acetohydrazide

N-[2-(1H-indol-3-yl)ethyl]acetohydrazide (PubChem CID 141443100) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]acetohydrazide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]acetohydrazide
PubChem CID141443100
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]acetohydrazide
SMILESCC(=O)N(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O/c1-9(16)15(13)7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,13H2,1H3
InChIKeyPISKXMDCWTVBCO-UHFFFAOYSA-N
XLogP1.43
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[2-(1H-indol-3-yl)ethyl]benzohydrazide
CID 151440969
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
4-(1H-indol-3-yl)butanamide
CID 588715
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]acetohydrazide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]acetohydrazide (CID 141443100) is N-[2-(1H-indol-3-yl)ethyl]acetohydrazide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]acetohydrazide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]acetohydrazide is CC(=O)N(N)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]acetohydrazide?
The InChIKey is PISKXMDCWTVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(16)15(13)7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,13H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]acetohydrazide?
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide has a molecular weight of 217.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]acetohydrazide is sourced from PubChem (CID 141443100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).