N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide

C15H22N2O — CID 67561835

IUPACN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC1=CCC=C(N(C)C(=O)CN2CCCC2)C=C1
InChIInChI=1S/C15H22N2O/c1-13-6-5-7-14(9-8-13)16(2)15(18)12-17-10-3-4-11-17/h6-9H,3-5,10-12H2,1-2H3
InChIKeyFAGYATCTBZZYFE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide

N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 67561835) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID67561835
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC1=CCC=C(N(C)C(=O)CN2CCCC2)C=C1
InChIInChI=1S/C15H22N2O/c1-13-6-5-7-14(9-8-13)16(2)15(18)12-17-10-3-4-11-17/h6-9H,3-5,10-12H2,1-2H3
InChIKeyFAGYATCTBZZYFE-UHFFFAOYSA-N
XLogP2.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide (CID 67561835) is N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide is CC1=CCC=C(N(C)C(=O)CN2CCCC2)C=C1.
What is the InChIKey of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is FAGYATCTBZZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13-6-5-7-14(9-8-13)16(2)15(18)12-17-10-3-4-11-17/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide?
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 67561835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).