N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide

C7H10N2 — CID 130267129

IUPACN'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide
SMILESC=C/C=C\N=C(\N)C=C
InChIInChI=1S/C7H10N2/c1-3-5-6-9-7(8)4-2/h3-6H,1-2H2,(H2,8,9)/b6-5-
InChIKeySKHCZFAXDIQWBM-WAYWQWQTSA-N
MW122.17 g/mol
LogP1.23
Rot. Bonds3

About N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide

N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide (PubChem CID 130267129) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide
PubChem CID130267129
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide
SMILESC=C/C=C\N=C(\N)C=C
InChIInChI=1S/C7H10N2/c1-3-5-6-9-7(8)4-2/h3-6H,1-2H2,(H2,8,9)/b6-5-
InChIKeySKHCZFAXDIQWBM-WAYWQWQTSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
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

3H-pyridin-3-id-6-amine;yttrium
CID 59061890
3H-pyridin-3-id-6-amine
CID 134839827
(E)-N'-ethenyl-3-fluorobut-2-enimidamide
CID 142337031
2H-azepin-7-amine
CID 18800627
carbanide;2H-pyrimidin-2-id-4-amine;uranium(2+)
CID 20644769
N'-ethenylprop-2-enimidamide
CID 23073048
Azet-2-amine
CID 55288848
2-ethenyl-1H-1,3-diazepine
CID 56992451
N'-ethenylprop-2-enimidamide;hydrochloride
CID 87403639
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N'-[(1Z)-buta-1,3-dienyl]propanimidamide
CID 89008112
(Z)-N'-ethenylbut-2-enimidamide
CID 89082386

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide (CID 130267129) is N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide is C=C/C=C\N=C(\N)C=C.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide?
The InChIKey is SKHCZFAXDIQWBM-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-5-6-9-7(8)4-2/h3-6H,1-2H2,(H2,8,9)/b6-5-.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide?
N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide has a molecular weight of 122.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide is sourced from PubChem (CID 130267129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).