(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine

C9H11N — CID 88997175

IUPAC(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC/C=c1/cccc/c1=C\N
InChIInChI=1S/C9H11N/c1-2-8-5-3-4-6-9(8)7-10/h2-7H,10H2,1H3/b8-2-,9-7+
InChIKeyHAWMQSHHJWBJSD-ONDBESRKSA-N
MW133.19 g/mol
LogP0.18
Rot. Bonds

About (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine

(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 88997175) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID88997175
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC/C=c1/cccc/c1=C\N
InChIInChI=1S/C9H11N/c1-2-8-5-3-4-6-9(8)7-10/h2-7H,10H2,1H3/b8-2-,9-7+
InChIKeyHAWMQSHHJWBJSD-ONDBESRKSA-N
XLogP0.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine (CID 88997175) is (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine is C/C=c1/cccc/c1=C\N.
What is the InChIKey of (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is HAWMQSHHJWBJSD-ONDBESRKSA-N. The full InChI is InChI=1S/C9H11N/c1-2-8-5-3-4-6-9(8)7-10/h2-7H,10H2,1H3/b8-2-,9-7+.
What are the key properties of (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 133.19 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 88997175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).