2-(nitromethylidene)-1-prop-2-enylimidazolidine

C7H11N3O2 — CID 70251274

IUPAC2-(nitromethylidene)-1-prop-2-enylimidazolidine
SMILESC=CCN1CCNC1=C[N+](=O)[O-]
InChIInChI=1S/C7H11N3O2/c1-2-4-9-5-3-8-7(9)6-10(11)12/h2,6,8H,1,3-5H2
InChIKeyBWJPKQVFWNVTLY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.15
Rot. Bonds3

About 2-(nitromethylidene)-1-prop-2-enylimidazolidine

2-(nitromethylidene)-1-prop-2-enylimidazolidine (PubChem CID 70251274) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(nitromethylidene)-1-prop-2-enylimidazolidine.

Molecular Properties

Compound Name2-(nitromethylidene)-1-prop-2-enylimidazolidine
PubChem CID70251274
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(nitromethylidene)-1-prop-2-enylimidazolidine
SMILESC=CCN1CCNC1=C[N+](=O)[O-]
InChIInChI=1S/C7H11N3O2/c1-2-4-9-5-3-8-7(9)6-10(11)12/h2,6,8H,1,3-5H2
InChIKeyBWJPKQVFWNVTLY-UHFFFAOYSA-N
XLogP0.15
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(nitromethylidene)-1-prop-2-enylimidazolidine?
The IUPAC name of 2-(nitromethylidene)-1-prop-2-enylimidazolidine (CID 70251274) is 2-(nitromethylidene)-1-prop-2-enylimidazolidine.
What is the SMILES notation for 2-(nitromethylidene)-1-prop-2-enylimidazolidine?
The canonical SMILES for 2-(nitromethylidene)-1-prop-2-enylimidazolidine is C=CCN1CCNC1=C[N+](=O)[O-].
What is the InChIKey of 2-(nitromethylidene)-1-prop-2-enylimidazolidine?
The InChIKey is BWJPKQVFWNVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-4-9-5-3-8-7(9)6-10(11)12/h2,6,8H,1,3-5H2.
What are the key properties of 2-(nitromethylidene)-1-prop-2-enylimidazolidine?
2-(nitromethylidene)-1-prop-2-enylimidazolidine has a molecular weight of 169.18 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nitromethylidene)-1-prop-2-enylimidazolidine is sourced from PubChem (CID 70251274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).