(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C9H13FN2O — CID 170053135

IUPAC(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESO=NCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H13FN2O/c10-5-8-4-9(7-11-13)2-1-3-12(9)6-8/h5H,1-4,6-7H2/b8-5+
InChIKeyDBDLQZYGYVOIQX-VMPITWQZSA-N
MW184.21 g/mol
LogP1.84
Rot. Bonds2

About (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170053135) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170053135
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESO=NCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H13FN2O/c10-5-8-4-9(7-11-13)2-1-3-12(9)6-8/h5H,1-4,6-7H2/b8-5+
InChIKeyDBDLQZYGYVOIQX-VMPITWQZSA-N
XLogP1.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170053135) is (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is O=NCC12CCCN1C/C(=C/F)C2.
What is the InChIKey of (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is DBDLQZYGYVOIQX-VMPITWQZSA-N. The full InChI is InChI=1S/C9H13FN2O/c10-5-8-4-9(7-11-13)2-1-3-12(9)6-8/h5H,1-4,6-7H2/b8-5+.
What are the key properties of (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 184.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170053135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).