2-prop-1-en-2-ylbenzenecarboximidamide

C10H12N2 — CID 147713579

IUPAC2-prop-1-en-2-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C(=C)C
InChIInChI=1S/C10H12N2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-6H,1H2,2H3,(H3,11,12)
InChIKeyGVEOAPLPUCEPDW-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.00
Rot. Bonds2

About 2-prop-1-en-2-ylbenzenecarboximidamide

2-prop-1-en-2-ylbenzenecarboximidamide (PubChem CID 147713579) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-prop-1-en-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-prop-1-en-2-ylbenzenecarboximidamide
PubChem CID147713579
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-prop-1-en-2-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C(=C)C
InChIInChI=1S/C10H12N2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-6H,1H2,2H3,(H3,11,12)
InChIKeyGVEOAPLPUCEPDW-UHFFFAOYSA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.00
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'}

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
biphenylene-1,8-dicarboximidamide
CID 71696896
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-(2-aminoethenyl)benzenecarboximidamide
CID 70572604
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylbenzenecarboximidamide?
The IUPAC name of 2-prop-1-en-2-ylbenzenecarboximidamide (CID 147713579) is 2-prop-1-en-2-ylbenzenecarboximidamide.
What is the SMILES notation for 2-prop-1-en-2-ylbenzenecarboximidamide?
The canonical SMILES for 2-prop-1-en-2-ylbenzenecarboximidamide is [H]/N=C(\N)c1ccccc1C(=C)C.
What is the InChIKey of 2-prop-1-en-2-ylbenzenecarboximidamide?
The InChIKey is GVEOAPLPUCEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-6H,1H2,2H3,(H3,11,12).
What are the key properties of 2-prop-1-en-2-ylbenzenecarboximidamide?
2-prop-1-en-2-ylbenzenecarboximidamide has a molecular weight of 160.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylbenzenecarboximidamide is sourced from PubChem (CID 147713579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).