7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide

C15H18N2O2 — CID 54541909

IUPAC7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
SMILESCNC(=O)C1Cc2c(n(C)c3ccc(OC)cc23)C1
InChIInChI=1S/C15H18N2O2/c1-16-15(18)9-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)7-9/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyZDUQFBAFWCHNSU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds2

About 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide

7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide (PubChem CID 54541909) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
PubChem CID54541909
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
SMILESCNC(=O)C1Cc2c(n(C)c3ccc(OC)cc23)C1
InChIInChI=1S/C15H18N2O2/c1-16-15(18)9-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)7-9/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyZDUQFBAFWCHNSU-UHFFFAOYSA-N
XLogP1.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.65
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 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide?
The IUPAC name of 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide (CID 54541909) is 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide.
What is the SMILES notation for 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide?
The canonical SMILES for 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide is CNC(=O)C1Cc2c(n(C)c3ccc(OC)cc23)C1.
What is the InChIKey of 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide?
The InChIKey is ZDUQFBAFWCHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-15(18)9-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)7-9/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide?
7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide is sourced from PubChem (CID 54541909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).