N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide

C12H16N2O2 — CID 118454469

IUPACN-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCNC(=O)C1=C(N2CCCC2)C(=O)CC=C1
InChIInChI=1S/C12H16N2O2/c1-13-12(16)9-5-4-6-10(15)11(9)14-7-2-3-8-14/h4-5H,2-3,6-8H2,1H3,(H,13,16)
InChIKeyTZJZCCFVZDRQQC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide

N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 118454469) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID118454469
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCNC(=O)C1=C(N2CCCC2)C(=O)CC=C1
InChIInChI=1S/C12H16N2O2/c1-13-12(16)9-5-4-6-10(15)11(9)14-7-2-3-8-14/h4-5H,2-3,6-8H2,1H3,(H,13,16)
InChIKeyTZJZCCFVZDRQQC-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide (CID 118454469) is N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide is CNC(=O)C1=C(N2CCCC2)C(=O)CC=C1.
What is the InChIKey of N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is TZJZCCFVZDRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-12(16)9-5-4-6-10(15)11(9)14-7-2-3-8-14/h4-5H,2-3,6-8H2,1H3,(H,13,16).
What are the key properties of N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide?
N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-2-pyrrolidin-1-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 118454469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).