[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine

C12H15NO — CID 142217188

IUPAC[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
SMILESC=C/C=c1/c(CN)c(OC)ccc1=C
InChIInChI=1S/C12H15NO/c1-4-5-10-9(2)6-7-12(14-3)11(10)8-13/h4-7H,1-2,8,13H2,3H3/b10-5+
InChIKeyWOCRJGQBWISHOO-BJMVGYQFSA-N
MW189.26 g/mol
LogP0.53
Rot. Bonds3

About [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine

[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 142217188) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
PubChem CID142217188
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
SMILESC=C/C=c1/c(CN)c(OC)ccc1=C
InChIInChI=1S/C12H15NO/c1-4-5-10-9(2)6-7-12(14-3)11(10)8-13/h4-7H,1-2,8,13H2,3H3/b10-5+
InChIKeyWOCRJGQBWISHOO-BJMVGYQFSA-N
XLogP0.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89276342
2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
[2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162549966
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
(4-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 66581252
(4-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 68095843
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
(7-methoxy-3H-isochromen-4-yl)methanamine
CID 88111455
(2E,3Z)-5-cyclohexa-1,3-dien-1-yloxy-2-ethylidenehexa-3,5-dien-1-amine
CID 88274875
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
(6-Methoxycyclohexa-1,3,4-trien-1-yl)methanamine
CID 89115899
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89153922

Frequently Asked Questions

What is the IUPAC name of [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine (CID 142217188) is [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine is C=C/C=c1/c(CN)c(OC)ccc1=C.
What is the InChIKey of [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is WOCRJGQBWISHOO-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-5-10-9(2)6-7-12(14-3)11(10)8-13/h4-7H,1-2,8,13H2,3H3/b10-5+.
What are the key properties of [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 189.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 142217188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).