cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol

C13H19CoN3O3 — CID 175318204

IUPACcobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol
SMILESNC1CCCCC1(N)Cc1cc([N+](=O)[O-])ccc1O.[Co]
InChIInChI=1S/C13H19N3O3.Co/c14-12-3-1-2-6-13(12,15)8-9-7-10(16(18)19)4-5-11(9)17;/h4-5,7,12,17H,1-3,6,8,14-15H2;
InChIKeyDPEOSZAKQNOVLG-UHFFFAOYSA-N
MW324.25 g/mol
LogP1.44
Rot. Bonds3

About cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol

cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol (PubChem CID 175318204) has the molecular formula C13H19CoN3O3 and a molecular weight of 324.25 g/mol. Its IUPAC name is cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol.

Molecular Properties

Compound Namecobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol
PubChem CID175318204
Molecular FormulaC13H19CoN3O3
Molecular Weight324.25 g/mol
Exact Mass324.08
IUPAC Namecobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol
SMILESNC1CCCCC1(N)Cc1cc([N+](=O)[O-])ccc1O.[Co]
InChIInChI=1S/C13H19N3O3.Co/c14-12-3-1-2-6-13(12,15)8-9-7-10(16(18)19)4-5-11(9)17;/h4-5,7,12,17H,1-3,6,8,14-15H2;
InChIKeyDPEOSZAKQNOVLG-UHFFFAOYSA-N
XLogP1.44
TPSA115.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Allyl-4-nitrophenol
CID 258439
2-((Ethylamino)methyl)-4-nitrophenol
CID 94665
2-Cyclohexyl-4-nitrophenol
CID 80481
2-Biphenylol, 5-nitro-
CID 20278
Bis(2-hydroxy-5-nitro-phenyl)methane
CID 230325
Phenol, 2-ethyl-4-nitro-
CID 214742
2-Benzyl-4-nitrophenol
CID 7131473
2-[(Cyclohexylamino)methyl]-4-nitrophenol
CID 264012
2-(Aminomethyl)-4-nitrophenol
CID 2115073
2-[(Benzylamino)methyl]-4-nitrophenol
CID 264015
4-nitro-2-[(E)-2-nitroethenyl]phenol
CID 12130122
2-(3-Methylbut-2-enyl)-4-nitrophenol
CID 13701438

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol?
The IUPAC name of cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol (CID 175318204) is cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol.
What is the SMILES notation for cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol?
The canonical SMILES for cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol is NC1CCCCC1(N)Cc1cc([N+](=O)[O-])ccc1O.[Co].
What is the InChIKey of cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol?
The InChIKey is DPEOSZAKQNOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.Co/c14-12-3-1-2-6-13(12,15)8-9-7-10(16(18)19)4-5-11(9)17;/h4-5,7,12,17H,1-3,6,8,14-15H2;.
What are the key properties of cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol?
cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol has a molecular weight of 324.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[(1,2-diaminocyclohexyl)methyl]-4-nitrophenol is sourced from PubChem (CID 175318204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).