1-phenyl-N-prop-2-ynylmethanimine

C10H9N — CID 4172560

IUPAC1-phenyl-N-prop-2-ynylmethanimine
SMILESC#CC/N=C/c1ccccc1
InChIInChI=1S/C10H9N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,9H,8H2/b11-9+
InChIKeyFEPOHBCBQQCLOF-PKNBQFBNSA-N
MW143.19 g/mol
LogP1.74
Rot. Bonds2

About 1-phenyl-N-prop-2-ynylmethanimine

1-phenyl-N-prop-2-ynylmethanimine (PubChem CID 4172560) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-ynylmethanimine.

Molecular Properties

Compound Name1-phenyl-N-prop-2-ynylmethanimine
PubChem CID4172560
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1-phenyl-N-prop-2-ynylmethanimine
SMILESC#CC/N=C/c1ccccc1
InChIInChI=1S/C10H9N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,9H,8H2/b11-9+
InChIKeyFEPOHBCBQQCLOF-PKNBQFBNSA-N
XLogP1.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-ynylmethanimine?
The IUPAC name of 1-phenyl-N-prop-2-ynylmethanimine (CID 4172560) is 1-phenyl-N-prop-2-ynylmethanimine.
What is the SMILES notation for 1-phenyl-N-prop-2-ynylmethanimine?
The canonical SMILES for 1-phenyl-N-prop-2-ynylmethanimine is C#CC/N=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-prop-2-ynylmethanimine?
The InChIKey is FEPOHBCBQQCLOF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H9N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,9H,8H2/b11-9+.
What are the key properties of 1-phenyl-N-prop-2-ynylmethanimine?
1-phenyl-N-prop-2-ynylmethanimine has a molecular weight of 143.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-ynylmethanimine is sourced from PubChem (CID 4172560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).