(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol

C11H13NO — CID 134404751

IUPAC(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
SMILESC=C/C=c1/ccc(O)c(N)/c1=C/C
InChIInChI=1S/C11H13NO/c1-3-5-8-6-7-10(13)11(12)9(8)4-2/h3-7,13H,1,12H2,2H3/b8-5-,9-4+
InChIKeyMENJEAODXJMGBZ-JDNPHIJCSA-N
MW175.23 g/mol
LogP0.74
Rot. Bonds1

About (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol

(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol (PubChem CID 134404751) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
PubChem CID134404751
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
SMILESC=C/C=c1/ccc(O)c(N)/c1=C/C
InChIInChI=1S/C11H13NO/c1-3-5-8-6-7-10(13)11(12)9(8)4-2/h3-7,13H,1,12H2,2H3/b8-5-,9-4+
InChIKeyMENJEAODXJMGBZ-JDNPHIJCSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol (CID 134404751) is (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol is C=C/C=c1/ccc(O)c(N)/c1=C/C.
What is the InChIKey of (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is MENJEAODXJMGBZ-JDNPHIJCSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-5-8-6-7-10(13)11(12)9(8)4-2/h3-7,13H,1,12H2,2H3/b8-5-,9-4+.
What are the key properties of (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol?
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 175.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 134404751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).