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

C15H23N2NaO2 — CID 139905838

IUPACsodium (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.[Na+]
InChIInChI=1S/C15H24N2O2.Na/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
InChIKeyRIYKSOAAOYDVOB-UHFFFAOYSA-M
MW286.35 g/mol
LogP-1.64
Rot. Bonds2

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

sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate (PubChem CID 139905838) has the molecular formula C15H23N2NaO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate.

Molecular Properties

Compound Namesodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
PubChem CID139905838
Molecular FormulaC15H23N2NaO2
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Namesodium (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.[Na+]
InChIInChI=1S/C15H24N2O2.Na/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
InChIKeyRIYKSOAAOYDVOB-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 ≤ 500286.35
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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Related Compounds

N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293212
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
N'-(2-methylbutan-2-yl)-4-methylidenepent-2-enediamide
CID 88236396
N-tert-butyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 136622509
Lithium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
CID 139905849
Lithium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
CID 139905855
Sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
CID 139905864
N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293117
ethane;(3E)-3-ethylidene-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-one
CID 143284559
ethane;(4E)-3-ethenyl-4-prop-2-enylidene-2H-pyrrolo[3,4-c]pyridine-1,6-dione
CID 143468913
3-Cyclohexa-1,5-dien-1-yl-5-methylidenepyrrol-2-one;ethane
CID 144734707
(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
CID 15465317

Frequently Asked Questions

What is the IUPAC name of sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The IUPAC name of sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate (CID 139905838) is sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate.
What is the SMILES notation for sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The canonical SMILES for sodium (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.[Na+].
What is the InChIKey of sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The InChIKey is RIYKSOAAOYDVOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N2O2.Na/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 sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate has a molecular weight of 286.35 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 sodium (tert-butylamino)-[2-(tert-butylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate is sourced from PubChem (CID 139905838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).