2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine

C10H15N3 — CID 139305711

IUPAC2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(\C)N/C(N)=N/C(=C)C=C
InChIInChI=1S/C10H15N3/c1-5-7-9(4)13-10(11)12-8(3)6-2/h5-7H,1-3H2,4H3,(H3,11,12,13)/b9-7+
InChIKeyMOCUCQXHDQBGAE-VQHVLOKHSA-N
MW177.25 g/mol
LogP1.68
Rot. Bonds4

About 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine

2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine (PubChem CID 139305711) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
PubChem CID139305711
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(\C)N/C(N)=N/C(=C)C=C
InChIInChI=1S/C10H15N3/c1-5-7-9(4)13-10(11)12-8(3)6-2/h5-7H,1-3H2,4H3,(H3,11,12,13)/b9-7+
InChIKeyMOCUCQXHDQBGAE-VQHVLOKHSA-N
XLogP1.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine?
The IUPAC name of 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine (CID 139305711) is 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine is C=C/C=C(\C)N/C(N)=N/C(=C)C=C.
What is the InChIKey of 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine?
The InChIKey is MOCUCQXHDQBGAE-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-7-9(4)13-10(11)12-8(3)6-2/h5-7H,1-3H2,4H3,(H3,11,12,13)/b9-7+.
What are the key properties of 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine?
2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine has a molecular weight of 177.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 139305711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).