2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium

C11H17NNbO — CID 175400188

IUPAC2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium
SMILESCC(C)(C)/N=C/C(O)C1C=CC=C1.[Nb]
InChIInChI=1S/C11H17NO.Nb/c1-11(2,3)12-8-10(13)9-6-4-5-7-9;/h4-10,13H,1-3H3;/b12-8+;
InChIKeyLHDMTQUEAKCKHR-MXZHIVQLSA-N
MW272.17 g/mol
LogP1.96
Rot. Bonds2

About 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium

2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium (PubChem CID 175400188) has the molecular formula C11H17NNbO and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium.

Molecular Properties

Compound Name2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium
PubChem CID175400188
Molecular FormulaC11H17NNbO
Molecular Weight272.17 g/mol
Exact Mass272.04
IUPAC Name2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium
SMILESCC(C)(C)/N=C/C(O)C1C=CC=C1.[Nb]
InChIInChI=1S/C11H17NO.Nb/c1-11(2,3)12-8-10(13)9-6-4-5-7-9;/h4-10,13H,1-3H3;/b12-8+;
InChIKeyLHDMTQUEAKCKHR-MXZHIVQLSA-N
XLogP1.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium?
The IUPAC name of 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium (CID 175400188) is 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium.
What is the SMILES notation for 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium?
The canonical SMILES for 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium is CC(C)(C)/N=C/C(O)C1C=CC=C1.[Nb].
What is the InChIKey of 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium?
The InChIKey is LHDMTQUEAKCKHR-MXZHIVQLSA-N. The full InChI is InChI=1S/C11H17NO.Nb/c1-11(2,3)12-8-10(13)9-6-4-5-7-9;/h4-10,13H,1-3H3;/b12-8+;.
What are the key properties of 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium?
2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium has a molecular weight of 272.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimino-1-cyclopenta-2,4-dien-1-ylethanol;niobium is sourced from PubChem (CID 175400188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).