N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide

C18H22N2O2 — CID 10685494

IUPACN-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCC1CNC(=O)C1CC1
InChIInChI=1S/C18H22N2O2/c1-20-15-8-6-13(22-2)9-14(15)17-12(5-7-16(17)20)10-19-18(21)11-3-4-11/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,21)
InChIKeyAOIKAWVKVUODOC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.74
Rot. Bonds4

About N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide

N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide (PubChem CID 10685494) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
PubChem CID10685494
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCC1CNC(=O)C1CC1
InChIInChI=1S/C18H22N2O2/c1-20-15-8-6-13(22-2)9-14(15)17-12(5-7-16(17)20)10-19-18(21)11-3-4-11/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,21)
InChIKeyAOIKAWVKVUODOC-UHFFFAOYSA-N
XLogP2.74
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide (CID 10685494) is N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide is COc1ccc2c(c1)c1c(n2C)CCC1CNC(=O)C1CC1.
What is the InChIKey of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
The InChIKey is AOIKAWVKVUODOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-15-8-6-13(22-2)9-14(15)17-12(5-7-16(17)20)10-19-18(21)11-3-4-11/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 10685494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).