5-methylidene-1-prop-1-enylimidazolidine

C7H12N2 — CID 91598100

IUPAC5-methylidene-1-prop-1-enylimidazolidine
SMILESC=C1CNCN1C=CC
InChIInChI=1S/C7H12N2/c1-3-4-9-6-8-5-7(9)2/h3-4,8H,2,5-6H2,1H3
InChIKeyWMVSGTMLCXMJCE-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds1

About 5-methylidene-1-prop-1-enylimidazolidine

5-methylidene-1-prop-1-enylimidazolidine (PubChem CID 91598100) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-methylidene-1-prop-1-enylimidazolidine.

Molecular Properties

Compound Name5-methylidene-1-prop-1-enylimidazolidine
PubChem CID91598100
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-methylidene-1-prop-1-enylimidazolidine
SMILESC=C1CNCN1C=CC
InChIInChI=1S/C7H12N2/c1-3-4-9-6-8-5-7(9)2/h3-4,8H,2,5-6H2,1H3
InChIKeyWMVSGTMLCXMJCE-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-prop-1-enylimidazolidine?
The IUPAC name of 5-methylidene-1-prop-1-enylimidazolidine (CID 91598100) is 5-methylidene-1-prop-1-enylimidazolidine.
What is the SMILES notation for 5-methylidene-1-prop-1-enylimidazolidine?
The canonical SMILES for 5-methylidene-1-prop-1-enylimidazolidine is C=C1CNCN1C=CC.
What is the InChIKey of 5-methylidene-1-prop-1-enylimidazolidine?
The InChIKey is WMVSGTMLCXMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-9-6-8-5-7(9)2/h3-4,8H,2,5-6H2,1H3.
What are the key properties of 5-methylidene-1-prop-1-enylimidazolidine?
5-methylidene-1-prop-1-enylimidazolidine has a molecular weight of 124.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-prop-1-enylimidazolidine is sourced from PubChem (CID 91598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).