N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide

C12H18N2O2 — CID 59227297

IUPACN-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
SMILESC=C1C=CC(=O)N1CCCCCC(=O)NC
InChIInChI=1S/C12H18N2O2/c1-10-7-8-12(16)14(10)9-5-3-4-6-11(15)13-2/h7-8H,1,3-6,9H2,2H3,(H,13,15)
InChIKeyMYBHDOJTUIGIRX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds6

About N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide

N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide (PubChem CID 59227297) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
PubChem CID59227297
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
SMILESC=C1C=CC(=O)N1CCCCCC(=O)NC
InChIInChI=1S/C12H18N2O2/c1-10-7-8-12(16)14(10)9-5-3-4-6-11(15)13-2/h7-8H,1,3-6,9H2,2H3,(H,13,15)
InChIKeyMYBHDOJTUIGIRX-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide?
The IUPAC name of N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide (CID 59227297) is N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide.
What is the SMILES notation for N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide?
The canonical SMILES for N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide is C=C1C=CC(=O)N1CCCCCC(=O)NC.
What is the InChIKey of N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide?
The InChIKey is MYBHDOJTUIGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-7-8-12(16)14(10)9-5-3-4-6-11(15)13-2/h7-8H,1,3-6,9H2,2H3,(H,13,15).
What are the key properties of N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide?
N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide has a molecular weight of 222.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide is sourced from PubChem (CID 59227297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).