2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide

C16H20N2O — CID 83984565

IUPAC2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
SMILESCc1[nH]c2cc3c(cc2c1CC(C)C(N)=O)CCC3
InChIInChI=1S/C16H20N2O/c1-9(16(17)19)6-13-10(2)18-15-8-12-5-3-4-11(12)7-14(13)15/h7-9,18H,3-6H2,1-2H3,(H2,17,19)
InChIKeyOAGAXAYJFFKGJV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide

2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide (PubChem CID 83984565) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
PubChem CID83984565
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
SMILESCc1[nH]c2cc3c(cc2c1CC(C)C(N)=O)CCC3
InChIInChI=1S/C16H20N2O/c1-9(16(17)19)6-13-10(2)18-15-8-12-5-3-4-11(12)7-14(13)15/h7-9,18H,3-6H2,1-2H3,(H2,17,19)
InChIKeyOAGAXAYJFFKGJV-UHFFFAOYSA-N
XLogP2.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide?
The IUPAC name of 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide (CID 83984565) is 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide?
The canonical SMILES for 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide is Cc1[nH]c2cc3c(cc2c1CC(C)C(N)=O)CCC3.
What is the InChIKey of 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide?
The InChIKey is OAGAXAYJFFKGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-9(16(17)19)6-13-10(2)18-15-8-12-5-3-4-11(12)7-14(13)15/h7-9,18H,3-6H2,1-2H3,(H2,17,19).
What are the key properties of 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide?
2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide is sourced from PubChem (CID 83984565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).