(E)-N-methyl-3-phenylpent-2-en-1-imine

C12H15N — CID 177407288

IUPAC(E)-N-methyl-3-phenylpent-2-en-1-imine
SMILESCC/C(=C\C=N\C)c1ccccc1
InChIInChI=1S/C12H15N/c1-3-11(9-10-13-2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b11-9+,13-10+
InChIKeyHDSMYMMCSYTUFU-HOJJKJLFSA-N
MW173.26 g/mol
LogP3.18
Rot. Bonds3

About (E)-N-methyl-3-phenylpent-2-en-1-imine

(E)-N-methyl-3-phenylpent-2-en-1-imine (PubChem CID 177407288) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (E)-N-methyl-3-phenylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-phenylpent-2-en-1-imine
PubChem CID177407288
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(E)-N-methyl-3-phenylpent-2-en-1-imine
SMILESCC/C(=C\C=N\C)c1ccccc1
InChIInChI=1S/C12H15N/c1-3-11(9-10-13-2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b11-9+,13-10+
InChIKeyHDSMYMMCSYTUFU-HOJJKJLFSA-N
XLogP3.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenylpent-2-en-1-imine?
The IUPAC name of (E)-N-methyl-3-phenylpent-2-en-1-imine (CID 177407288) is (E)-N-methyl-3-phenylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-3-phenylpent-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-3-phenylpent-2-en-1-imine is CC/C(=C\C=N\C)c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-phenylpent-2-en-1-imine?
The InChIKey is HDSMYMMCSYTUFU-HOJJKJLFSA-N. The full InChI is InChI=1S/C12H15N/c1-3-11(9-10-13-2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b11-9+,13-10+.
What are the key properties of (E)-N-methyl-3-phenylpent-2-en-1-imine?
(E)-N-methyl-3-phenylpent-2-en-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenylpent-2-en-1-imine is sourced from PubChem (CID 177407288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).