1-prop-2-enylperimidine

C14H12N2 — CID 745096

IUPAC1-prop-2-enylperimidine
SMILESC=CCN1C=Nc2cccc3cccc1c23
InChIInChI=1S/C14H12N2/c1-2-9-16-10-15-12-7-3-5-11-6-4-8-13(16)14(11)12/h2-8,10H,1,9H2
InChIKeyNHMWNTMJLVNEEJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.51
Rot. Bonds2

About 1-prop-2-enylperimidine

1-prop-2-enylperimidine (PubChem CID 745096) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-prop-2-enylperimidine.

Molecular Properties

Compound Name1-prop-2-enylperimidine
PubChem CID745096
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-prop-2-enylperimidine
SMILESC=CCN1C=Nc2cccc3cccc1c23
InChIInChI=1S/C14H12N2/c1-2-9-16-10-15-12-7-3-5-11-6-4-8-13(16)14(11)12/h2-8,10H,1,9H2
InChIKeyNHMWNTMJLVNEEJ-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylperimidine?
The IUPAC name of 1-prop-2-enylperimidine (CID 745096) is 1-prop-2-enylperimidine.
What is the SMILES notation for 1-prop-2-enylperimidine?
The canonical SMILES for 1-prop-2-enylperimidine is C=CCN1C=Nc2cccc3cccc1c23.
What is the InChIKey of 1-prop-2-enylperimidine?
The InChIKey is NHMWNTMJLVNEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-9-16-10-15-12-7-3-5-11-6-4-8-13(16)14(11)12/h2-8,10H,1,9H2.
What are the key properties of 1-prop-2-enylperimidine?
1-prop-2-enylperimidine has a molecular weight of 208.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylperimidine is sourced from PubChem (CID 745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).