[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate

C10H15N2O- — CID 3764166

IUPAC[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
SMILESCC(C)(C)N(N)C([O-])=C1C=CC=C1
InChIInChI=1S/C10H16N2O/c1-10(2,3)12(11)9(13)8-6-4-5-7-8/h4-7,13H,11H2,1-3H3/p-1
InChIKeyJOJPJEKHNFGSDA-UHFFFAOYSA-M
MW179.24 g/mol
LogP0.66
Rot. Bonds1

About [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate

[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate (PubChem CID 3764166) has the molecular formula C10H15N2O- and a molecular weight of 179.24 g/mol. Its IUPAC name is [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate.

Molecular Properties

Compound Name[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
PubChem CID3764166
Molecular FormulaC10H15N2O-
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
SMILESCC(C)(C)N(N)C([O-])=C1C=CC=C1
InChIInChI=1S/C10H16N2O/c1-10(2,3)12(11)9(13)8-6-4-5-7-8/h4-7,13H,11H2,1-3H3/p-1
InChIKeyJOJPJEKHNFGSDA-UHFFFAOYSA-M
XLogP0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate?
The IUPAC name of [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate (CID 3764166) is [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate.
What is the SMILES notation for [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate?
The canonical SMILES for [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate is CC(C)(C)N(N)C([O-])=C1C=CC=C1.
What is the InChIKey of [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate?
The InChIKey is JOJPJEKHNFGSDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)12(11)9(13)8-6-4-5-7-8/h4-7,13H,11H2,1-3H3/p-1.
What are the key properties of [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate?
[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate has a molecular weight of 179.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate is sourced from PubChem (CID 3764166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).