(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine

C8H9N — CID 88997060

IUPAC(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
SMILESC=c1cccc/c1=C/N
InChIInChI=1S/C8H9N/c1-7-4-2-3-5-8(7)6-9/h2-6H,1,9H2/b8-6-
InChIKeyVXJJZOZSZRBQFW-VURMDHGXSA-N
MW119.17 g/mol
LogP-0.21
Rot. Bonds

About (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine

(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine (PubChem CID 88997060) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
PubChem CID88997060
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
SMILESC=c1cccc/c1=C/N
InChIInChI=1S/C8H9N/c1-7-4-2-3-5-8(7)6-9/h2-6H,1,9H2/b8-6-
InChIKeyVXJJZOZSZRBQFW-VURMDHGXSA-N
XLogP-0.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
The IUPAC name of (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine (CID 88997060) is (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine.
What is the SMILES notation for (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
The canonical SMILES for (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine is C=c1cccc/c1=C/N.
What is the InChIKey of (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
The InChIKey is VXJJZOZSZRBQFW-VURMDHGXSA-N. The full InChI is InChI=1S/C8H9N/c1-7-4-2-3-5-8(7)6-9/h2-6H,1,9H2/b8-6-.
What are the key properties of (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine has a molecular weight of 119.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine is sourced from PubChem (CID 88997060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).