(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine

C8H12N2O2 — CID 6365438

IUPAC(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC/C1=C/[N+](=O)[O-]
InChIInChI=1S/C8H12N2O2/c1-2-5-9-6-3-4-8(9)7-10(11)12/h2,7H,1,3-6H2/b8-7-
InChIKeyLWWSULAJWWHYIC-FPLPWBNLSA-N
MW168.20 g/mol
LogP1.39
Rot. Bonds3

About (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine

(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine (PubChem CID 6365438) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine
PubChem CID6365438
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC/C1=C/[N+](=O)[O-]
InChIInChI=1S/C8H12N2O2/c1-2-5-9-6-3-4-8(9)7-10(11)12/h2,7H,1,3-6H2/b8-7-
InChIKeyLWWSULAJWWHYIC-FPLPWBNLSA-N
XLogP1.39
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine?
The IUPAC name of (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine (CID 6365438) is (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine?
The canonical SMILES for (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine is C=CCN1CCC/C1=C/[N+](=O)[O-].
What is the InChIKey of (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine?
The InChIKey is LWWSULAJWWHYIC-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-5-9-6-3-4-8(9)7-10(11)12/h2,7H,1,3-6H2/b8-7-.
What are the key properties of (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine?
(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine has a molecular weight of 168.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 6365438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).