2-[(Z)-3-iminoprop-1-enyl]guanidine

C4H8N4 — CID 88943126

IUPAC2-[(Z)-3-iminoprop-1-enyl]guanidine
SMILES[H]/N=C/C=C\N=C(N)N
InChIInChI=1S/C4H8N4/c5-2-1-3-8-4(6)7/h1-3,5H,(H4,6,7,8)/b3-1-,5-2+
InChIKeyDCCXWBHLODBWOJ-CRZUQTJNSA-N
MW112.14 g/mol
LogP-0.58
Rot. Bonds2

About 2-[(Z)-3-iminoprop-1-enyl]guanidine

2-[(Z)-3-iminoprop-1-enyl]guanidine (PubChem CID 88943126) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 2-[(Z)-3-iminoprop-1-enyl]guanidine.

Molecular Properties

Compound Name2-[(Z)-3-iminoprop-1-enyl]guanidine
PubChem CID88943126
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name2-[(Z)-3-iminoprop-1-enyl]guanidine
SMILES[H]/N=C/C=C\N=C(N)N
InChIInChI=1S/C4H8N4/c5-2-1-3-8-4(6)7/h1-3,5H,(H4,6,7,8)/b3-1-,5-2+
InChIKeyDCCXWBHLODBWOJ-CRZUQTJNSA-N
XLogP-0.58
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.58
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'}

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Related Compounds

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propane;2H-pyrimidin-2-ide;tungsten(2+)
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propane;2H-pyrimidin-2-ide;yttrium
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diiminoiron;2H-pyrimidin-2-ide;hydrochloride
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N'-ethenyl-N-prop-2-enylidenemethanimidamide
CID 88408958
N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 88925224
2-(Prop-2-enylideneamino)ethene-1,1-diamine
CID 89293829
N'-ethylideneprop-2-ene-1,3-diimine
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CID 123367124
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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-iminoprop-1-enyl]guanidine?
The IUPAC name of 2-[(Z)-3-iminoprop-1-enyl]guanidine (CID 88943126) is 2-[(Z)-3-iminoprop-1-enyl]guanidine.
What is the SMILES notation for 2-[(Z)-3-iminoprop-1-enyl]guanidine?
The canonical SMILES for 2-[(Z)-3-iminoprop-1-enyl]guanidine is [H]/N=C/C=C\N=C(N)N.
What is the InChIKey of 2-[(Z)-3-iminoprop-1-enyl]guanidine?
The InChIKey is DCCXWBHLODBWOJ-CRZUQTJNSA-N. The full InChI is InChI=1S/C4H8N4/c5-2-1-3-8-4(6)7/h1-3,5H,(H4,6,7,8)/b3-1-,5-2+.
What are the key properties of 2-[(Z)-3-iminoprop-1-enyl]guanidine?
2-[(Z)-3-iminoprop-1-enyl]guanidine has a molecular weight of 112.14 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-iminoprop-1-enyl]guanidine is sourced from PubChem (CID 88943126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).