(4-methylphenyl) carbamimidate

C8H10N2O — CID 44562278

IUPAC(4-methylphenyl) carbamimidate
SMILES[H]/N=C(\N)Oc1ccc(C)cc1
InChIInChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H3,9,10)
InChIKeyFJTQHFJTBVHKNH-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.27
Rot. Bonds1

About (4-methylphenyl) carbamimidate

(4-methylphenyl) carbamimidate (PubChem CID 44562278) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (4-methylphenyl) carbamimidate.

Molecular Properties

Compound Name(4-methylphenyl) carbamimidate
PubChem CID44562278
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(4-methylphenyl) carbamimidate
SMILES[H]/N=C(\N)Oc1ccc(C)cc1
InChIInChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H3,9,10)
InChIKeyFJTQHFJTBVHKNH-UHFFFAOYSA-N
XLogP1.27
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) carbamimidate?
The IUPAC name of (4-methylphenyl) carbamimidate (CID 44562278) is (4-methylphenyl) carbamimidate.
What is the SMILES notation for (4-methylphenyl) carbamimidate?
The canonical SMILES for (4-methylphenyl) carbamimidate is [H]/N=C(\N)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) carbamimidate?
The InChIKey is FJTQHFJTBVHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H3,9,10).
What are the key properties of (4-methylphenyl) carbamimidate?
(4-methylphenyl) carbamimidate has a molecular weight of 150.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) carbamimidate is sourced from PubChem (CID 44562278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).