lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide

C16H20LiNO2 — CID 10355489

IUPAClithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide
SMILESC/C=C1\CC(C)(C)CC1OC(=O)[N-]c1ccccc1.[Li+]
InChIInChI=1S/C16H21NO2.Li/c1-4-12-10-16(2,3)11-14(12)19-15(18)17-13-8-6-5-7-9-13;/h4-9,14H,10-11H2,1-3H3,(H,17,18);/q;+1/p-1/b12-4+;
InChIKeyBBAXTUQLLZGYME-AQCBZIOHSA-M
MW265.28 g/mol
LogP1.97
Rot. Bonds2

About lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide

lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide (PubChem CID 10355489) has the molecular formula C16H20LiNO2 and a molecular weight of 265.28 g/mol. Its IUPAC name is lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide.

Molecular Properties

Compound Namelithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide
PubChem CID10355489
Molecular FormulaC16H20LiNO2
Molecular Weight265.28 g/mol
Exact Mass265.17
IUPAC Namelithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide
SMILESC/C=C1\CC(C)(C)CC1OC(=O)[N-]c1ccccc1.[Li+]
InChIInChI=1S/C16H21NO2.Li/c1-4-12-10-16(2,3)11-14(12)19-15(18)17-13-8-6-5-7-9-13;/h4-9,14H,10-11H2,1-3H3,(H,17,18);/q;+1/p-1/b12-4+;
InChIKeyBBAXTUQLLZGYME-AQCBZIOHSA-M
XLogP1.97
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

lithium [(2E)-2-ethylidene-4,4-dimethylcyclohexyl]oxycarbonyl-phenylazanide
CID 10401370
lithium [(E)-2-methylhex-4-en-3-yl]oxycarbonyl-phenylazanide
CID 10263630
(2,4,4-trimethylcyclopentyl) 2-hydroxybenzoate
CID 23113033
N-[2-(3,3-dimethyl-5-oxocyclohexyl)sulfanylphenyl]benzamide
CID 13499146
[(2E)-2-benzylidene-4,4-dimethylcyclohexyl] N-phenylcarbamate
CID 10359964
methyl (2E)-2-(2,4,4-trimethylcyclopentylidene)acetate
CID 178191203
trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 102327290
(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate
CID 127259824
2-hydroxybenzoic acid;methane;3,5,5-trimethylcyclohex-2-en-1-ol;(3,5,5-trimethylcyclohex-2-en-1-yl) 2-hydroxybenzoate
CID 158557533
trans-methyl (1R,2E,3R)-2-ethylidene-3-methyl-1-phenylcyclopropane-1-carboxylate
CID 10584832
trans-methyl (1S,2Z,3S)-2-ethylidene-3-methyl-1-phenylcyclopropane-1-carboxylate
CID 10703941
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206

Frequently Asked Questions

What is the IUPAC name of lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide?
The IUPAC name of lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide (CID 10355489) is lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide.
What is the SMILES notation for lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide?
The canonical SMILES for lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide is C/C=C1\CC(C)(C)CC1OC(=O)[N-]c1ccccc1.[Li+].
What is the InChIKey of lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide?
The InChIKey is BBAXTUQLLZGYME-AQCBZIOHSA-M. The full InChI is InChI=1S/C16H21NO2.Li/c1-4-12-10-16(2,3)11-14(12)19-15(18)17-13-8-6-5-7-9-13;/h4-9,14H,10-11H2,1-3H3,(H,17,18);/q;+1/p-1/b12-4+;.
What are the key properties of lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide?
lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide has a molecular weight of 265.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2E)-2-ethylidene-4,4-dimethylcyclopentyl]oxycarbonyl-phenylazanide is sourced from PubChem (CID 10355489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).