N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide

C13H21N3O — CID 83207683

IUPACN-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCNC(=O)Cn1cc2c(c1)C(NC)CCCC2
InChIInChI=1S/C13H21N3O/c1-14-12-6-4-3-5-10-7-16(8-11(10)12)9-13(17)15-2/h7-8,12,14H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyHOYAKWDJSJJFKO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.22
Rot. Bonds3

About N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide

N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (PubChem CID 83207683) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
PubChem CID83207683
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
SMILESCNC(=O)Cn1cc2c(c1)C(NC)CCCC2
InChIInChI=1S/C13H21N3O/c1-14-12-6-4-3-5-10-7-16(8-11(10)12)9-13(17)15-2/h7-8,12,14H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyHOYAKWDJSJJFKO-UHFFFAOYSA-N
XLogP1.22
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide (CID 83207683) is N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is CNC(=O)Cn1cc2c(c1)C(NC)CCCC2.
What is the InChIKey of N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
The InChIKey is HOYAKWDJSJJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-12-6-4-3-5-10-7-16(8-11(10)12)9-13(17)15-2/h7-8,12,14H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide?
N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide is sourced from PubChem (CID 83207683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).