3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide

C13H21N3O — CID 13280607

IUPAC3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CC(=C(N(C)C)N(C)C)C=C1
InChIInChI=1S/C13H21N3O/c1-14(2)12(15(3)4)10-7-8-11(9-10)13(17)16(5)6/h7-9H,1-6H3
InChIKeyWOVDIJDUAYQMDB-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.91
Rot. Bonds3

About 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide

3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 13280607) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide
PubChem CID13280607
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CC(=C(N(C)C)N(C)C)C=C1
InChIInChI=1S/C13H21N3O/c1-14(2)12(15(3)4)10-7-8-11(9-10)13(17)16(5)6/h7-9H,1-6H3
InChIKeyWOVDIJDUAYQMDB-UHFFFAOYSA-N
XLogP0.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide (CID 13280607) is 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide is CN(C)C(=O)C1=CC(=C(N(C)C)N(C)C)C=C1.
What is the InChIKey of 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide?
The InChIKey is WOVDIJDUAYQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14(2)12(15(3)4)10-7-8-11(9-10)13(17)16(5)6/h7-9H,1-6H3.
What are the key properties of 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide?
3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 13280607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).