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

C16H21N3O — CID 25024912

IUPACN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3nn(C)cc3c21
InChIInChI=1S/C16H21N3O/c1-3-15(20)17-9-8-12-5-4-11-6-7-14-13(16(11)12)10-19(2)18-14/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyNSVWAZKYXRLSCN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds4

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

N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide (PubChem CID 25024912) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide
PubChem CID25024912
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3nn(C)cc3c21
InChIInChI=1S/C16H21N3O/c1-3-15(20)17-9-8-12-5-4-11-6-7-14-13(16(11)12)10-19(2)18-14/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyNSVWAZKYXRLSCN-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
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]propanamide?
The IUPAC name of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide (CID 25024912) is N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3nn(C)cc3c21.
What is the InChIKey of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide?
The InChIKey is NSVWAZKYXRLSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-15(20)17-9-8-12-5-4-11-6-7-14-13(16(11)12)10-19(2)18-14/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide?
N-[2-(2-methyl-7,8-dihydro-6H-cyclopenta[e]indazol-8-yl)ethyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.52, 4 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]propanamide is sourced from PubChem (CID 25024912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).