pent-3-enimidamide

C5H10N2 — CID 53397023

IUPACpent-3-enimidamide
SMILES[H]/N=C(/N)CC=CC
InChIInChI=1S/C5H10N2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H3,6,7)
InChIKeyONVKPIRERFRNDR-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.89
Rot. Bonds2

About pent-3-enimidamide

pent-3-enimidamide (PubChem CID 53397023) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is pent-3-enimidamide.

Molecular Properties

Compound Namepent-3-enimidamide
PubChem CID53397023
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namepent-3-enimidamide
SMILES[H]/N=C(/N)CC=CC
InChIInChI=1S/C5H10N2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H3,6,7)
InChIKeyONVKPIRERFRNDR-UHFFFAOYSA-N
XLogP0.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.89
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-fluoro-2-methylpent-3-enimidamide
CID 142083241
(E)-4-fluoropent-3-enimidamide
CID 142083272
Vinylacetamidine
CID 4056230
Pent-2-enimidamide
CID 34180092
Hex-3-enimidamide
CID 57196822
(3E)-3-methylhexa-3,5-dienimidamide
CID 58082056
CID 74821450
CID 74821450
(E)-N'-hydroxypent-3-enimidamide
CID 88365803
Hexa-3,5-dienimidamide
CID 88773677
Cyclopenta-2,4-diene-1-carboximidamide
CID 89338639
(Z)-pent-2-enimidamide
CID 96869220
(E)-N'-ethylpent-3-enimidamide
CID 118519265

Frequently Asked Questions

What is the IUPAC name of pent-3-enimidamide?
The IUPAC name of pent-3-enimidamide (CID 53397023) is pent-3-enimidamide.
What is the SMILES notation for pent-3-enimidamide?
The canonical SMILES for pent-3-enimidamide is [H]/N=C(/N)CC=CC.
What is the InChIKey of pent-3-enimidamide?
The InChIKey is ONVKPIRERFRNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H3,6,7).
What are the key properties of pent-3-enimidamide?
pent-3-enimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enimidamide is sourced from PubChem (CID 53397023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).