4-prop-2-enylbenzenecarboximidamide

C10H12N2 — CID 67813760

IUPAC4-prop-2-enylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CC=C)cc1
InChIInChI=1S/C10H12N2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2,(H3,11,12)
InChIKeyILDRCNRDCIOZLG-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.70
Rot. Bonds3

About 4-prop-2-enylbenzenecarboximidamide

4-prop-2-enylbenzenecarboximidamide (PubChem CID 67813760) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-prop-2-enylbenzenecarboximidamide.

Molecular Properties

Compound Name4-prop-2-enylbenzenecarboximidamide
PubChem CID67813760
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-prop-2-enylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CC=C)cc1
InChIInChI=1S/C10H12N2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2,(H3,11,12)
InChIKeyILDRCNRDCIOZLG-UHFFFAOYSA-N
XLogP1.70
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.70
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

4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide
CID 129190559
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
1-[(4-carbamimidoylphenyl)methyl]-1-methoxyurea
CID 91049335
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylbenzenecarboximidamide?
The IUPAC name of 4-prop-2-enylbenzenecarboximidamide (CID 67813760) is 4-prop-2-enylbenzenecarboximidamide.
What is the SMILES notation for 4-prop-2-enylbenzenecarboximidamide?
The canonical SMILES for 4-prop-2-enylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CC=C)cc1.
What is the InChIKey of 4-prop-2-enylbenzenecarboximidamide?
The InChIKey is ILDRCNRDCIOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2,(H3,11,12).
What are the key properties of 4-prop-2-enylbenzenecarboximidamide?
4-prop-2-enylbenzenecarboximidamide has a molecular weight of 160.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylbenzenecarboximidamide is sourced from PubChem (CID 67813760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).