lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate

C15H23LiN2O2 — CID 139905855

IUPAClithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
SMILESCC(C)(C)NC(=O)C1=CC=CC1=C([O-])NC(C)(C)C.[Li+]
InChIInChI=1S/C15H24N2O2.Li/c1-14(2,3)16-12(18)10-8-7-9-11(10)13(19)17-15(4,5)6;/h7-9,16,18H,1-6H3,(H,17,19);/q;+1/p-1
InChIKeyZDPFLCUSKNAINV-UHFFFAOYSA-M
MW270.30 g/mol
LogP-1.64
Rot. Bonds2

About lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate

lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate (PubChem CID 139905855) has the molecular formula C15H23LiN2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate.

Molecular Properties

Compound Namelithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
PubChem CID139905855
Molecular FormulaC15H23LiN2O2
Molecular Weight270.30 g/mol
Exact Mass270.19
IUPAC Namelithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
SMILESCC(C)(C)NC(=O)C1=CC=CC1=C([O-])NC(C)(C)C.[Li+]
InChIInChI=1S/C15H24N2O2.Li/c1-14(2,3)16-12(18)10-8-7-9-11(10)13(19)17-15(4,5)6;/h7-9,16,18H,1-6H3,(H,17,19);/q;+1/p-1
InChIKeyZDPFLCUSKNAINV-UHFFFAOYSA-M
XLogP-1.64
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The IUPAC name of lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate (CID 139905855) is lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate.
What is the SMILES notation for lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The canonical SMILES for lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate is CC(C)(C)NC(=O)C1=CC=CC1=C([O-])NC(C)(C)C.[Li+].
What is the InChIKey of lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The InChIKey is ZDPFLCUSKNAINV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N2O2.Li/c1-14(2,3)16-12(18)10-8-7-9-11(10)13(19)17-15(4,5)6;/h7-9,16,18H,1-6H3,(H,17,19);/q;+1/p-1.
What are the key properties of lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate has a molecular weight of 270.30 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate is sourced from PubChem (CID 139905855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).