N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide

C15H18N2O — CID 84581192

IUPACN-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
SMILESCCC(=O)NC1Cc2[nH]c3ccc(C)cc3c2C1
InChIInChI=1S/C15H18N2O/c1-3-15(18)16-10-7-12-11-6-9(2)4-5-13(11)17-14(12)8-10/h4-6,10,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyYBIXMBLYVVCYFH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.47
Rot. Bonds2

About N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide

N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide (PubChem CID 84581192) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide.

Molecular Properties

Compound NameN-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
PubChem CID84581192
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
SMILESCCC(=O)NC1Cc2[nH]c3ccc(C)cc3c2C1
InChIInChI=1S/C15H18N2O/c1-3-15(18)16-10-7-12-11-6-9(2)4-5-13(11)17-14(12)8-10/h4-6,10,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyYBIXMBLYVVCYFH-UHFFFAOYSA-N
XLogP2.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.47
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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Related Compounds

N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
CID 84579834
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
CID 84579548
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580341
(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid
CID 67025334
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide?
The IUPAC name of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide (CID 84581192) is N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide.
What is the SMILES notation for N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide?
The canonical SMILES for N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide is CCC(=O)NC1Cc2[nH]c3ccc(C)cc3c2C1.
What is the InChIKey of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide?
The InChIKey is YBIXMBLYVVCYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-15(18)16-10-7-12-11-6-9(2)4-5-13(11)17-14(12)8-10/h4-6,10,17H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide?
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide has a molecular weight of 242.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide is sourced from PubChem (CID 84581192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).