1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole

C17H20N2O — CID 134834477

IUPAC1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
SMILESC=CCc1nn(COCC)c2c1CCc1ccccc1-2
InChIInChI=1S/C17H20N2O/c1-3-7-16-15-11-10-13-8-5-6-9-14(13)17(15)19(18-16)12-20-4-2/h3,5-6,8-9H,1,4,7,10-12H2,2H3
InChIKeyZQMNKGFKWTZZGK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.37
Rot. Bonds5

About 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole

1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole (PubChem CID 134834477) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
PubChem CID134834477
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
SMILESC=CCc1nn(COCC)c2c1CCc1ccccc1-2
InChIInChI=1S/C17H20N2O/c1-3-7-16-15-11-10-13-8-5-6-9-14(13)17(15)19(18-16)12-20-4-2/h3,5-6,8-9H,1,4,7,10-12H2,2H3
InChIKeyZQMNKGFKWTZZGK-UHFFFAOYSA-N
XLogP3.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

AS-19
CID 23642275
N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 16759607
2-(Ethoxymethyl)-3-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g]indazole
CID 134942362
1-Benzyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-diaza-1H-cyclopenta[a]naphthalene
CID 102417944
2-Benzyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-diaza-2H-cyclopenta[a]naphthalene
CID 102417949
4,5-Dihydro-2-methyl-3-phenyl-2h-benz[g]indazole
CID 15263230
Tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate
CID 102417939
1-Benzyl-3-iodo-4,5-dihydrobenzo[g]indazole
CID 102417941
1-Benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
CID 102417947
2-Benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
CID 102417951
1-(Ethoxymethyl)-4,5-dihydrobenzo[g]indazole
CID 102417952
(1-Benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane
CID 134834342

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole (CID 134834477) is 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole is C=CCc1nn(COCC)c2c1CCc1ccccc1-2.
What is the InChIKey of 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is ZQMNKGFKWTZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-7-16-15-11-10-13-8-5-6-9-14(13)17(15)19(18-16)12-20-4-2/h3,5-6,8-9H,1,4,7,10-12H2,2H3.
What are the key properties of 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole?
1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 268.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 134834477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).