2-[(2E)-penta-2,4-dien-2-yl]guanidine

C6H11N3 — CID 58082055

IUPAC2-[(2E)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(\C)N=C(N)N
InChIInChI=1S/C6H11N3/c1-3-4-5(2)9-6(7)8/h3-4H,1H2,2H3,(H4,7,8,9)/b5-4+
InChIKeyOCOUINPVHFPGEN-SNAWJCMRSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

About 2-[(2E)-penta-2,4-dien-2-yl]guanidine

2-[(2E)-penta-2,4-dien-2-yl]guanidine (PubChem CID 58082055) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-[(2E)-penta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name2-[(2E)-penta-2,4-dien-2-yl]guanidine
PubChem CID58082055
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-[(2E)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(\C)N=C(N)N
InChIInChI=1S/C6H11N3/c1-3-4-5(2)9-6(7)8/h3-4H,1H2,2H3,(H4,7,8,9)/b5-4+
InChIKeyOCOUINPVHFPGEN-SNAWJCMRSA-N
XLogP0.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.35
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide
CID 88572089
N'-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 88943771
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
methyl N'-[(2Z)-penta-2,4-dien-2-yl]carbamimidothioate
CID 89170035
2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine
CID 89171592
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
CID 117919184
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
CID 123333180
N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 124033430
2-[(Z)-but-2-en-2-yl]-1-methylideneguanidine
CID 126672316
2-[(1Z,3Z)-penta-1,3-dienyl]guanidine
CID 132150230

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-penta-2,4-dien-2-yl]guanidine?
The IUPAC name of 2-[(2E)-penta-2,4-dien-2-yl]guanidine (CID 58082055) is 2-[(2E)-penta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 2-[(2E)-penta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 2-[(2E)-penta-2,4-dien-2-yl]guanidine is C=C/C=C(\C)N=C(N)N.
What is the InChIKey of 2-[(2E)-penta-2,4-dien-2-yl]guanidine?
The InChIKey is OCOUINPVHFPGEN-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-5(2)9-6(7)8/h3-4H,1H2,2H3,(H4,7,8,9)/b5-4+.
What are the key properties of 2-[(2E)-penta-2,4-dien-2-yl]guanidine?
2-[(2E)-penta-2,4-dien-2-yl]guanidine has a molecular weight of 125.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-penta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 58082055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).