(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol

C8H10N2O — CID 177405657

IUPAC(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol
SMILESC/N=C/C1=C/C(=C\N)C=C1O
InChIInChI=1S/C8H10N2O/c1-10-5-7-2-6(4-9)3-8(7)11/h2-5,11H,9H2,1H3/b6-4+,10-5+
InChIKeyYGKKZSAQECJLGE-GQYICFGZSA-N
MW150.18 g/mol
LogP0.91
Rot. Bonds1

About (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol

(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol (PubChem CID 177405657) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol.

Molecular Properties

Compound Name(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol
PubChem CID177405657
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol
SMILESC/N=C/C1=C/C(=C\N)C=C1O
InChIInChI=1S/C8H10N2O/c1-10-5-7-2-6(4-9)3-8(7)11/h2-5,11H,9H2,1H3/b6-4+,10-5+
InChIKeyYGKKZSAQECJLGE-GQYICFGZSA-N
XLogP0.91
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[[(1E,3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 88915912
(4Z)-4-[[[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazaniumylidene]methyl]-2-methylhexa-2,4-dien-3-olate
CID 88938119
ethane;[(Z)-2-[2-[[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]amino]-1-hydroxyethenyl]but-2-enylidene]azanium
CID 123283256
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol
CID 134228937
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
5-Methanimidoyl-3-methylcyclopenta-1,4-dien-1-ol
CID 145591251
[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium
CID 88938120
3-Methylidene-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol
CID 101895776
(4Z)-4-[[(3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 123283257
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol
CID 123572870
(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
CID 176975575

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol?
The IUPAC name of (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol (CID 177405657) is (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol.
What is the SMILES notation for (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol?
The canonical SMILES for (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol is C/N=C/C1=C/C(=C\N)C=C1O.
What is the InChIKey of (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol?
The InChIKey is YGKKZSAQECJLGE-GQYICFGZSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-5-7-2-6(4-9)3-8(7)11/h2-5,11H,9H2,1H3/b6-4+,10-5+.
What are the key properties of (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol?
(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol has a molecular weight of 150.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol is sourced from PubChem (CID 177405657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).