cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate

C8H10NO- — CID 13280613

IUPACcyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate
SMILESCN(C)C([O-])=C1C=CC=C1
InChIInChI=1S/C8H11NO/c1-9(2)8(10)7-5-3-4-6-7/h3-6,10H,1-2H3/p-1
InChIKeyCCUNZCHVAUCTOD-UHFFFAOYSA-M
MW136.17 g/mol
LogP0.25
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate

cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate (PubChem CID 13280613) has the molecular formula C8H10NO- and a molecular weight of 136.17 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate
PubChem CID13280613
Molecular FormulaC8H10NO-
Molecular Weight136.17 g/mol
Exact Mass136.08
IUPAC Namecyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate
SMILESCN(C)C([O-])=C1C=CC=C1
InChIInChI=1S/C8H11NO/c1-9(2)8(10)7-5-3-4-6-7/h3-6,10H,1-2H3/p-1
InChIKeyCCUNZCHVAUCTOD-UHFFFAOYSA-M
XLogP0.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate (CID 13280613) is cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate is CN(C)C([O-])=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate?
The InChIKey is CCUNZCHVAUCTOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO/c1-9(2)8(10)7-5-3-4-6-7/h3-6,10H,1-2H3/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate?
cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate has a molecular weight of 136.17 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate is sourced from PubChem (CID 13280613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).