2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine

C8H11N3 — CID 123179193

IUPAC2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine
SMILESC=C1C=C(N=C(N)N)C=CC1
InChIInChI=1S/C8H11N3/c1-6-3-2-4-7(5-6)11-8(9)10/h2,4-5H,1,3H2,(H4,9,10,11)
InChIKeyOOYXWEKDRHLGPX-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.66
Rot. Bonds1

About 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine

2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine (PubChem CID 123179193) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine.

Molecular Properties

Compound Name2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine
PubChem CID123179193
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine
SMILESC=C1C=C(N=C(N)N)C=CC1
InChIInChI=1S/C8H11N3/c1-6-3-2-4-7(5-6)11-8(9)10/h2,4-5H,1,3H2,(H4,9,10,11)
InChIKeyOOYXWEKDRHLGPX-UHFFFAOYSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
2-[(3R)-3-iodo-4-methylcyclohexa-1,5-dien-1-yl]guanidine
CID 68303173
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(4-Methylcyclohexa-1,5-dien-1-yl)guanidine
CID 123347365
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693
3-Ethenyl-6,7-dihydroquinolin-2-amine
CID 130421228
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666
(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridin-2-amine
CID 134444287
N'-[(3E,5Z)-5-ethenylocta-1,3,5,7-tetraen-4-yl]methanimidamide
CID 139406245
2-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 141113662

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine?
The IUPAC name of 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine (CID 123179193) is 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine.
What is the SMILES notation for 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine?
The canonical SMILES for 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine is C=C1C=C(N=C(N)N)C=CC1.
What is the InChIKey of 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine?
The InChIKey is OOYXWEKDRHLGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-2-4-7(5-6)11-8(9)10/h2,4-5H,1,3H2,(H4,9,10,11).
What are the key properties of 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine?
2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine has a molecular weight of 149.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenecyclohexa-1,5-dien-1-yl)guanidine is sourced from PubChem (CID 123179193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).