1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol

C12H14N2O2 — CID 68624119

IUPAC1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol
SMILESNC1(O)C=CC(=C2C=CC(N)(O)C=C2)C=C1
InChIInChI=1S/C12H14N2O2/c13-11(15)5-1-9(2-6-11)10-3-7-12(14,16)8-4-10/h1-8,15-16H,13-14H2/b10-9-
InChIKeyQMYWPHMICWXMOM-KTKRTIGZSA-N
MW218.26 g/mol
LogP-0.17
Rot. Bonds

About 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol

1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol (PubChem CID 68624119) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol
PubChem CID68624119
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol
SMILESNC1(O)C=CC(=C2C=CC(N)(O)C=C2)C=C1
InChIInChI=1S/C12H14N2O2/c13-11(15)5-1-9(2-6-11)10-3-7-12(14,16)8-4-10/h1-8,15-16H,13-14H2/b10-9-
InChIKeyQMYWPHMICWXMOM-KTKRTIGZSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol (CID 68624119) is 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol is NC1(O)C=CC(=C2C=CC(N)(O)C=C2)C=C1.
What is the InChIKey of 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol?
The InChIKey is QMYWPHMICWXMOM-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-11(15)5-1-9(2-6-11)10-3-7-12(14,16)8-4-10/h1-8,15-16H,13-14H2/b10-9-.
What are the key properties of 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol?
1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol has a molecular weight of 218.26 g/mol, XLogP of -0.17, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 68624119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).