4-(3-chloroprop-1-enyl)benzenecarboximidamide

C10H11ClN2 — CID 169477282

IUPAC4-(3-chloroprop-1-enyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C=CCCl)cc1
InChIInChI=1S/C10H11ClN2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6H,7H2,(H3,12,13)
InChIKeyRIUNGJCGIABVMA-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.22
Rot. Bonds3

About 4-(3-chloroprop-1-enyl)benzenecarboximidamide

4-(3-chloroprop-1-enyl)benzenecarboximidamide (PubChem CID 169477282) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)benzenecarboximidamide
PubChem CID169477282
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name4-(3-chloroprop-1-enyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C=CCCl)cc1
InChIInChI=1S/C10H11ClN2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6H,7H2,(H3,12,13)
InChIKeyRIUNGJCGIABVMA-UHFFFAOYSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755
4-(3-chloroprop-1-enyl)benzoic acid
CID 169477180
4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
CID 6433163
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
CID 135923501
3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
CID 24846143
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
CID 24846159
4-prop-2-enylbenzenecarboximidamide
CID 67813760
methanimidamide;4-[(Z)-5-[7-(methylamino)heptylamino]pent-1-enyl]benzenecarboximidamide
CID 144860197
1-[4-(3-chloroprop-1-enyl)phenyl]-2,2,2-trifluoroethanone
CID 169478110
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-(4-chlorobut-1-ynyl)benzenecarboximidamide
CID 170467712
3-[(Z)-3-(3-carbamimidoylphenyl)prop-2-enyl]benzenecarboximidamide
CID 70416553

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)benzenecarboximidamide?
The IUPAC name of 4-(3-chloroprop-1-enyl)benzenecarboximidamide (CID 169477282) is 4-(3-chloroprop-1-enyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-chloroprop-1-enyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C=CCCl)cc1.
What is the InChIKey of 4-(3-chloroprop-1-enyl)benzenecarboximidamide?
The InChIKey is RIUNGJCGIABVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6H,7H2,(H3,12,13).
What are the key properties of 4-(3-chloroprop-1-enyl)benzenecarboximidamide?
4-(3-chloroprop-1-enyl)benzenecarboximidamide has a molecular weight of 194.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)benzenecarboximidamide is sourced from PubChem (CID 169477282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).