N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide

C17H19N3O2 — CID 17421167

IUPACN'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide
SMILESCn1cccc1CC(=O)NNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N3O2/c1-20-9-3-6-15(20)11-16(21)18-19-17(22)14-8-7-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyHPXQMIOAFCMWNT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.52
Rot. Bonds3

About N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide

N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide (PubChem CID 17421167) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide
PubChem CID17421167
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide
SMILESCn1cccc1CC(=O)NNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N3O2/c1-20-9-3-6-15(20)11-16(21)18-19-17(22)14-8-7-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyHPXQMIOAFCMWNT-UHFFFAOYSA-N
XLogP1.52
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681428
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9185791
N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9328814
N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9076127
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 167978506
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide?
The IUPAC name of N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide (CID 17421167) is N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide.
What is the SMILES notation for N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide?
The canonical SMILES for N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide is Cn1cccc1CC(=O)NNC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide?
The InChIKey is HPXQMIOAFCMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-9-3-6-15(20)11-16(21)18-19-17(22)14-8-7-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide?
N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide has a molecular weight of 297.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methylpyrrol-2-yl)acetyl]-2,3-dihydro-1H-indene-5-carbohydrazide is sourced from PubChem (CID 17421167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).