cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate

C18H21NO3-2 — CID 146164260

IUPACcyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate
SMILESCC(C)N(/C([O-])=C1\C=CC=C1OC([O-])=C1C=CC=C1)C(C)C
InChIInChI=1S/C18H23NO3/c1-12(2)19(13(3)4)17(20)15-10-7-11-16(15)22-18(21)14-8-5-6-9-14/h5-13,20-21H,1-4H3/p-2/b17-15-
InChIKeyKMRJAKGPGUWLSD-ICFOKQHNSA-L
MW299.37 g/mol
LogP1.85
Rot. Bonds5

About cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate

cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate (PubChem CID 146164260) has the molecular formula C18H21NO3-2 and a molecular weight of 299.37 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate
PubChem CID146164260
Molecular FormulaC18H21NO3-2
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namecyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate
SMILESCC(C)N(/C([O-])=C1\C=CC=C1OC([O-])=C1C=CC=C1)C(C)C
InChIInChI=1S/C18H23NO3/c1-12(2)19(13(3)4)17(20)15-10-7-11-16(15)22-18(21)14-8-5-6-9-14/h5-13,20-21H,1-4H3/p-2/b17-15-
InChIKeyKMRJAKGPGUWLSD-ICFOKQHNSA-L
XLogP1.85
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate with MolForge

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Related Compounds

(1E)-1-(2-methoxycarbonylcyclopenta-2,4-dien-1-ylidene)ethanolate
CID 54708782
3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol
CID 10351752
N,N,N'-tri(propan-2-yl)carbamimidoyl chloride
CID 54266519
cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
CID 157122316
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
methoxy-(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
CID 73169366
cyclohexa-1,3-dien-1-yl N,N-di(propan-2-yl)carbamate
CID 132505945
[6-(3-chloro-4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-ethoxymethanolate
CID 2112375
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)
CID 175772893
(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate
CID 54692483
[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
CID 46909844
5-propan-2-ylidene-1-[2-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
CID 101039738

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate (CID 146164260) is cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate is CC(C)N(/C([O-])=C1\C=CC=C1OC([O-])=C1C=CC=C1)C(C)C.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate?
The InChIKey is KMRJAKGPGUWLSD-ICFOKQHNSA-L. The full InChI is InChI=1S/C18H23NO3/c1-12(2)19(13(3)4)17(20)15-10-7-11-16(15)22-18(21)14-8-5-6-9-14/h5-13,20-21H,1-4H3/p-2/b17-15-.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate?
cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate has a molecular weight of 299.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate is sourced from PubChem (CID 146164260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).