4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide

C14H20N2O — CID 116845082

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
SMILESCN(N)C(=O)CCCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O/c1-16(15)14(17)7-2-4-11-8-9-12-5-3-6-13(12)10-11/h8-10H,2-7,15H2,1H3
InChIKeyFHRJSCZDJKUFDI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.83
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide

4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide (PubChem CID 116845082) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
PubChem CID116845082
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
SMILESCN(N)C(=O)CCCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O/c1-16(15)14(17)7-2-4-11-8-9-12-5-3-6-13(12)10-11/h8-10H,2-7,15H2,1H3
InChIKeyFHRJSCZDJKUFDI-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
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

5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
5-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
N-methyl-4-naphthalen-2-ylbutanehydrazide
CID 116845183
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116844990
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 110673901
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 110673907

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide (CID 116845082) is 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide is CN(N)C(=O)CCCc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide?
The InChIKey is FHRJSCZDJKUFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(15)14(17)7-2-4-11-8-9-12-5-3-6-13(12)10-11/h8-10H,2-7,15H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide?
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide has a molecular weight of 232.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide is sourced from PubChem (CID 116845082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).