(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide

C8H13N3 — CID 137282355

IUPAC(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N/C(C)=C/C=C
InChIInChI=1S/C8H13N3/c1-3-4-7(2)11-6-5-8(9)10/h3-6,11H,1H2,2H3,(H3,9,10)/b6-5-,7-4+
InChIKeyFLSQPIOYALNBSQ-IUQJDUBZSA-N
MW151.21 g/mol
LogP1.12
Rot. Bonds4

About (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide

(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide (PubChem CID 137282355) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide
PubChem CID137282355
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N/C(C)=C/C=C
InChIInChI=1S/C8H13N3/c1-3-4-7(2)11-6-5-8(9)10/h3-6,11H,1H2,2H3,(H3,9,10)/b6-5-,7-4+
InChIKeyFLSQPIOYALNBSQ-IUQJDUBZSA-N
XLogP1.12
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
The IUPAC name of (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide (CID 137282355) is (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
The canonical SMILES for (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide is [H]/N=C(N)/C=C\N/C(C)=C/C=C.
What is the InChIKey of (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
The InChIKey is FLSQPIOYALNBSQ-IUQJDUBZSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-7(2)11-6-5-8(9)10/h3-6,11H,1H2,2H3,(H3,9,10)/b6-5-,7-4+.
What are the key properties of (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide is sourced from PubChem (CID 137282355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).