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

C13H21N3O — CID 12588733

IUPAC5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CC=CC1=C(N(C)C)N(C)C
InChIInChI=1S/C13H21N3O/c1-14(2)12(15(3)4)10-8-7-9-11(10)13(17)16(5)6/h7-9H,1-6H3
InChIKeyHJNLUKFAHZTEDX-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.91
Rot. Bonds3

About 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide

5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 12588733) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide
PubChem CID12588733
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CC=CC1=C(N(C)C)N(C)C
InChIInChI=1S/C13H21N3O/c1-14(2)12(15(3)4)10-8-7-9-11(10)13(17)16(5)6/h7-9H,1-6H3
InChIKeyHJNLUKFAHZTEDX-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 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide (CID 12588733) is 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide is CN(C)C(=O)C1=CC=CC1=C(N(C)C)N(C)C.
What is the InChIKey of 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is HJNLUKFAHZTEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14(2)12(15(3)4)10-8-7-9-11(10)13(17)16(5)6/h7-9H,1-6H3.
What are the key properties of 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide?
5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-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 5-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 12588733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).