N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide

C15H19N3O — CID 59145872

IUPACN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccc3nn(C)cc3c21
InChIInChI=1S/C15H19N3O/c1-10(19)16-8-7-12-4-3-11-5-6-14-13(15(11)12)9-18(2)17-14/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyZQXIGSXDTKGTRB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.13
Rot. Bonds3

About N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide

N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide (PubChem CID 59145872) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide
PubChem CID59145872
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccc3nn(C)cc3c21
InChIInChI=1S/C15H19N3O/c1-10(19)16-8-7-12-4-3-11-5-6-14-13(15(11)12)9-18(2)17-14/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyZQXIGSXDTKGTRB-UHFFFAOYSA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide (CID 59145872) is N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide is CC(=O)NCCC1CCc2ccc3nn(C)cc3c21.
What is the InChIKey of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide?
The InChIKey is ZQXIGSXDTKGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(19)16-8-7-12-4-3-11-5-6-14-13(15(11)12)9-18(2)17-14/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide?
N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]acetamide is sourced from PubChem (CID 59145872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).