(2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one

C17H18N2O2 — CID 124559088

IUPAC(2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one
SMILESO=C1C[C@H](c2ccco2)CC/C1=C\NNc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16-11-13(17-7-4-10-21-17)8-9-14(16)12-18-19-15-5-2-1-3-6-15/h1-7,10,12-13,18-19H,8-9,11H2/b14-12+/t13-/m1/s1
InChIKeyLKVZAJQLKMKSQN-MNWMYKRDSA-N
MW282.34 g/mol
LogP3.62
Rot. Bonds4

About (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one

(2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one (PubChem CID 124559088) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one
PubChem CID124559088
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one
SMILESO=C1C[C@H](c2ccco2)CC/C1=C\NNc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16-11-13(17-7-4-10-21-17)8-9-14(16)12-18-19-15-5-2-1-3-6-15/h1-7,10,12-13,18-19H,8-9,11H2/b14-12+/t13-/m1/s1
InChIKeyLKVZAJQLKMKSQN-MNWMYKRDSA-N
XLogP3.62
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one (CID 124559088) is (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one is O=C1C[C@H](c2ccco2)CC/C1=C\NNc1ccccc1.
What is the InChIKey of (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one?
The InChIKey is LKVZAJQLKMKSQN-MNWMYKRDSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-11-13(17-7-4-10-21-17)8-9-14(16)12-18-19-15-5-2-1-3-6-15/h1-7,10,12-13,18-19H,8-9,11H2/b14-12+/t13-/m1/s1.
What are the key properties of (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one?
(2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-(furan-2-yl)-2-[(2-phenylhydrazinyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 124559088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).