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

C9H13FN2O — CID 172627685

IUPAC(6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESO=NC[C@]12CCCN1C/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-/t9-/m1/s1
InChIKeyDBDLQZYGYVOIQX-BZJXQOFCSA-N
MW184.21 g/mol
LogP1.84
Rot. Bonds2

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

(6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 172627685) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID172627685
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESO=NC[C@]12CCCN1C/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-/t9-/m1/s1
InChIKeyDBDLQZYGYVOIQX-BZJXQOFCSA-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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Related Compounds

(6E,8R)-8-(1,1-dideuterio-2-methylpropyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776729
(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170771550
[(6Z)-6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164922515
(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 177095467
(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 170564986
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
2-[8-(hydroxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-ylidene]-N,N-dimethylacetamide
CID 178064967
(8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170219901
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
(8S)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776385
(8R)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776323
8-(ethoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
CID 170411839

Frequently Asked Questions

What is the IUPAC name of (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 172627685) is (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is O=NC[C@]12CCCN1C/C(=C\F)C2.
What is the InChIKey of (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is DBDLQZYGYVOIQX-BZJXQOFCSA-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-/t9-/m1/s1.
What are the key properties of (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6Z,8R)-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 (6Z,8R)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 172627685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).