2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol

C16H20N2O2 — CID 142930611

IUPAC2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1/C=N/CC/N=C/C1C=CC=CC1O
InChIInChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-7,11-13,15-16,19-20H,8-10H2/b17-11+,18-12+
InChIKeyYDWPMRZANRAQFO-JYFOCSDGSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol

2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol (PubChem CID 142930611) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol
PubChem CID142930611
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1/C=N/CC/N=C/C1C=CC=CC1O
InChIInChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-7,11-13,15-16,19-20H,8-10H2/b17-11+,18-12+
InChIKeyYDWPMRZANRAQFO-JYFOCSDGSA-N
XLogP1.48
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(6-Hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]ethyliminomethylidene]cyclohexa-2,4-dien-1-ol
CID 89916694
3-Ethyl-2-[3-[2-(1-hydroxyethyl)cyclohexa-1,5-dien-1-yl]prop-2-enyliminomethyl]-4-prop-1-enylcyclohexa-2,4-dien-1-ol
CID 123256475
(4-Hydroxy-3-methylcyclohexa-1,5-dien-1-yl)methylidenecyanamide
CID 123530431
6,6'-{Propane-1,3-diylbis[azanylylidene(2E)ethane-2,1-diylidene]}di(cyclohexa-2,4-dien-1-ol)
CID 71328612
3-[2-[(3,6-Dihydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-1,5-diene-1,4-diol
CID 101426207

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol (CID 142930611) is 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol is OC1CC=CC=C1/C=N/CC/N=C/C1C=CC=CC1O.
What is the InChIKey of 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is YDWPMRZANRAQFO-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-7,11-13,15-16,19-20H,8-10H2/b17-11+,18-12+.
What are the key properties of 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol?
2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-hydroxycyclohexa-2,4-dien-1-yl)methylideneamino]ethyliminomethyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 142930611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).