N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide

C15H18N2O2 — CID 10777609

IUPACN-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide
SMILESCOc1ccc2[nH]cc3c2c1CCC3CNC(C)=O
InChIInChI=1S/C15H18N2O2/c1-9(18)16-7-10-3-4-11-14(19-2)6-5-13-15(11)12(10)8-17-13/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyWYLRPNYGOBPRLJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds3

About N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide

N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide (PubChem CID 10777609) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide
PubChem CID10777609
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide
SMILESCOc1ccc2[nH]cc3c2c1CCC3CNC(C)=O
InChIInChI=1S/C15H18N2O2/c1-9(18)16-7-10-3-4-11-14(19-2)6-5-13-15(11)12(10)8-17-13/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyWYLRPNYGOBPRLJ-UHFFFAOYSA-N
XLogP2.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide (CID 10777609) is N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide is COc1ccc2[nH]cc3c2c1CCC3CNC(C)=O.
What is the InChIKey of N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide?
The InChIKey is WYLRPNYGOBPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(18)16-7-10-3-4-11-14(19-2)6-5-13-15(11)12(10)8-17-13/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide?
N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methyl]acetamide is sourced from PubChem (CID 10777609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).