(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine

C10H13NO — CID 177202618

IUPAC(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=c1cc(OC)c(N)c/c1=C/C
InChIInChI=1S/C10H13NO/c1-4-8-6-9(11)10(12-3)5-7(8)2/h4-6H,2,11H2,1,3H3/b8-4-
InChIKeyUOQIEKWWOFPJFX-YWEYNIOJSA-N
MW163.22 g/mol
LogP0.49
Rot. Bonds1

About (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine

(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine (PubChem CID 177202618) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
PubChem CID177202618
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=c1cc(OC)c(N)c/c1=C/C
InChIInChI=1S/C10H13NO/c1-4-8-6-9(11)10(12-3)5-7(8)2/h4-6H,2,11H2,1,3H3/b8-4-
InChIKeyUOQIEKWWOFPJFX-YWEYNIOJSA-N
XLogP0.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine (CID 177202618) is (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine is C=c1cc(OC)c(N)c/c1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is UOQIEKWWOFPJFX-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-8-6-9(11)10(12-3)5-7(8)2/h4-6H,2,11H2,1,3H3/b8-4-.
What are the key properties of (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine?
(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 177202618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).