sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate

C11H15N2NaO2 — CID 139905864

IUPACsodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
SMILESCCNC(=O)C1=CC=CC1=C([O-])NCC.[Na+]
InChIInChI=1S/C11H16N2O2.Na/c1-3-12-10(14)8-6-5-7-9(8)11(15)13-4-2;/h5-7,12,14H,3-4H2,1-2H3,(H,13,15);/q;+1/p-1
InChIKeyJGGROLBNMOSULV-UHFFFAOYSA-M
MW230.24 g/mol
LogP-3.20
Rot. Bonds4

About sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate

sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate (PubChem CID 139905864) has the molecular formula C11H15N2NaO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate.

Molecular Properties

Compound Namesodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
PubChem CID139905864
Molecular FormulaC11H15N2NaO2
Molecular Weight230.24 g/mol
Exact Mass230.10
IUPAC Namesodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate
SMILESCCNC(=O)C1=CC=CC1=C([O-])NCC.[Na+]
InChIInChI=1S/C11H16N2O2.Na/c1-3-12-10(14)8-6-5-7-9(8)11(15)13-4-2;/h5-7,12,14H,3-4H2,1-2H3,(H,13,15);/q;+1/p-1
InChIKeyJGGROLBNMOSULV-UHFFFAOYSA-M
XLogP-3.20
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-3.20
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 sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The IUPAC name of sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate (CID 139905864) is sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate.
What is the SMILES notation for sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The canonical SMILES for sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate is CCNC(=O)C1=CC=CC1=C([O-])NCC.[Na+].
What is the InChIKey of sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The InChIKey is JGGROLBNMOSULV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O2.Na/c1-3-12-10(14)8-6-5-7-9(8)11(15)13-4-2;/h5-7,12,14H,3-4H2,1-2H3,(H,13,15);/q;+1/p-1.
What are the key properties of sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate?
sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate has a molecular weight of 230.24 g/mol, XLogP of -3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethylamino-[2-(ethylcarbamoyl)cyclopenta-2,4-dien-1-ylidene]methanolate is sourced from PubChem (CID 139905864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).