copper;ethane-1,2-diamine;2-hydroxybenzaldehyde

C9H14CuN2O2 — CID 175387187

IUPACcopper;ethane-1,2-diamine;2-hydroxybenzaldehyde
SMILESNCCN.O=Cc1ccccc1O.[Cu]
InChIInChI=1S/C7H6O2.C2H8N2.Cu/c8-5-6-3-1-2-4-7(6)9;3-1-2-4;/h1-5,9H;1-4H2;
InChIKeyXPSPPFJZFRKWRV-UHFFFAOYSA-N
MW245.77 g/mol
LogP0.11
Rot. Bonds2

About copper;ethane-1,2-diamine;2-hydroxybenzaldehyde

copper;ethane-1,2-diamine;2-hydroxybenzaldehyde (PubChem CID 175387187) has the molecular formula C9H14CuN2O2 and a molecular weight of 245.77 g/mol. Its IUPAC name is copper;ethane-1,2-diamine;2-hydroxybenzaldehyde.

Molecular Properties

Compound Namecopper;ethane-1,2-diamine;2-hydroxybenzaldehyde
PubChem CID175387187
Molecular FormulaC9H14CuN2O2
Molecular Weight245.77 g/mol
Exact Mass245.04
IUPAC Namecopper;ethane-1,2-diamine;2-hydroxybenzaldehyde
SMILESNCCN.O=Cc1ccccc1O.[Cu]
InChIInChI=1S/C7H6O2.C2H8N2.Cu/c8-5-6-3-1-2-4-7(6)9;3-1-2-4;/h1-5,9H;1-4H2;
InChIKeyXPSPPFJZFRKWRV-UHFFFAOYSA-N
XLogP0.11
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
aniline;2-hydroxybenzaldehyde
CID 159847329
2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine
CID 158083087
2-aminobenzaldehyde;ethane-1,2-diamine;nickel
CID 87671040
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
2-(1,2-diaminoethoxy)benzaldehyde;2-hydroxybenzaldehyde
CID 87454191

Frequently Asked Questions

What is the IUPAC name of copper;ethane-1,2-diamine;2-hydroxybenzaldehyde?
The IUPAC name of copper;ethane-1,2-diamine;2-hydroxybenzaldehyde (CID 175387187) is copper;ethane-1,2-diamine;2-hydroxybenzaldehyde.
What is the SMILES notation for copper;ethane-1,2-diamine;2-hydroxybenzaldehyde?
The canonical SMILES for copper;ethane-1,2-diamine;2-hydroxybenzaldehyde is NCCN.O=Cc1ccccc1O.[Cu].
What is the InChIKey of copper;ethane-1,2-diamine;2-hydroxybenzaldehyde?
The InChIKey is XPSPPFJZFRKWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H8N2.Cu/c8-5-6-3-1-2-4-7(6)9;3-1-2-4;/h1-5,9H;1-4H2;.
What are the key properties of copper;ethane-1,2-diamine;2-hydroxybenzaldehyde?
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde has a molecular weight of 245.77 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethane-1,2-diamine;2-hydroxybenzaldehyde is sourced from PubChem (CID 175387187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).