N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide

C15H17N3 — CID 174316309

IUPACN'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccccc1)C(=CC=C)/C=C\C
InChIInChI=1S/C15H17N3/c1-3-8-12(9-4-2)14(16)18-15(17)13-10-6-5-7-11-13/h3-11H,1H2,2H3,(H3,16,17,18)/b9-4-,12-8?
InChIKeyFIZWDRORTMXRMV-RGQSMMICSA-N
MW239.32 g/mol
LogP3.06
Rot. Bonds4

About N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide

N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide (PubChem CID 174316309) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide
PubChem CID174316309
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccccc1)C(=CC=C)/C=C\C
InChIInChI=1S/C15H17N3/c1-3-8-12(9-4-2)14(16)18-15(17)13-10-6-5-7-11-13/h3-11H,1H2,2H3,(H3,16,17,18)/b9-4-,12-8?
InChIKeyFIZWDRORTMXRMV-RGQSMMICSA-N
XLogP3.06
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.06
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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Related Compounds

[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
CID 142373254
3-methoxy-N'-[(2E,4Z)-2-methylhepta-2,4,6-trienimidoyl]benzenecarboximidamide
CID 142976190
benzenecarboximidamide;sulfane
CID 172701796
N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
CID 142597638
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbonimidoyl]-3-(1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaen-11-yl)benzenecarboximidamide
CID 144868504
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 142421269
benzenecarboximidamide;toluene
CID 158219006
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
N'-[N-(benzenecarboximidoyl)-N-methylcarbamimidoyl]benzenecarboximidamide
CID 123674972
(2S)-5,5-dimethyl-2-[[(2E)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]hexan-3-one
CID 144714215
N-ethyl-N-[3-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]amino]propyl]benzamide
CID 143859696

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide?
The IUPAC name of N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide (CID 174316309) is N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide?
The canonical SMILES for N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide is [H]/N=C(/N=C(\N)c1ccccc1)C(=CC=C)/C=C\C.
What is the InChIKey of N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide?
The InChIKey is FIZWDRORTMXRMV-RGQSMMICSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-8-12(9-4-2)14(16)18-15(17)13-10-6-5-7-11-13/h3-11H,1H2,2H3,(H3,16,17,18)/b9-4-,12-8?.
What are the key properties of N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide?
N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide is sourced from PubChem (CID 174316309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).