1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine

C7H12N2O2 — CID 58723509

IUPAC1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine
SMILESC/C(=C/[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C7H12N2O2/c1-7(6-9(10)11)8-4-2-3-5-8/h6H,2-5H2,1H3/b7-6-
InChIKeyIFGUBHDNKNYIBW-SREVYHEPSA-N
MW156.19 g/mol
LogP1.22
Rot. Bonds2

About 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine

1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine (PubChem CID 58723509) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine
PubChem CID58723509
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine
SMILESC/C(=C/[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C7H12N2O2/c1-7(6-9(10)11)8-4-2-3-5-8/h6H,2-5H2,1H3/b7-6-
InChIKeyIFGUBHDNKNYIBW-SREVYHEPSA-N
XLogP1.22
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine (CID 58723509) is 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine is C/C(=C/[N+](=O)[O-])N1CCCC1.
What is the InChIKey of 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine?
The InChIKey is IFGUBHDNKNYIBW-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(6-9(10)11)8-4-2-3-5-8/h6H,2-5H2,1H3/b7-6-.
What are the key properties of 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine?
1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine has a molecular weight of 156.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine is sourced from PubChem (CID 58723509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).