2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide

C16H19N3O2 — CID 63569939

IUPAC2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(CN2c3ccccc3CC2C)cc1C(=O)NN
InChIInChI=1S/C16H19N3O2/c1-10-7-12-5-3-4-6-15(12)19(10)9-13-8-14(11(2)21-13)16(20)18-17/h3-6,8,10H,7,9,17H2,1-2H3,(H,18,20)
InChIKeyDCQSJCUTIMSZKY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide

2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63569939) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63569939
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(CN2c3ccccc3CC2C)cc1C(=O)NN
InChIInChI=1S/C16H19N3O2/c1-10-7-12-5-3-4-6-15(12)19(10)9-13-8-14(11(2)21-13)16(20)18-17/h3-6,8,10H,7,9,17H2,1-2H3,(H,18,20)
InChIKeyDCQSJCUTIMSZKY-UHFFFAOYSA-N
XLogP2.14
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.14
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-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569942
N-[[2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62423861
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide
CID 63569402
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
5-(indazol-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63578155
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 43621049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide (CID 63569939) is 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide is Cc1oc(CN2c3ccccc3CC2C)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is DCQSJCUTIMSZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-7-12-5-3-4-6-15(12)19(10)9-13-8-14(11(2)21-13)16(20)18-17/h3-6,8,10H,7,9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63569939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).