8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine

C11H17FN4 — CID 137419728

IUPAC8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C(C)C1(F)CN2CCCC2(CN=[N+]=[N-])C1
InChIInChI=1S/C11H17FN4/c1-9(2)11(12)6-10(7-14-15-13)4-3-5-16(10)8-11/h1,3-8H2,2H3
InChIKeyNGDFKUHOURBQBM-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.82
Rot. Bonds3

About 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine

8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 137419728) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID137419728
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C(C)C1(F)CN2CCCC2(CN=[N+]=[N-])C1
InChIInChI=1S/C11H17FN4/c1-9(2)11(12)6-10(7-14-15-13)4-3-5-16(10)8-11/h1,3-8H2,2H3
InChIKeyNGDFKUHOURBQBM-UHFFFAOYSA-N
XLogP2.82
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
CID 123476203
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(6Z)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984257
(6Z,8R)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984321
(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881441
(1S,8R)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881478
(6Z)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169182615
(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169183813
(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170073257
(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170097539

Frequently Asked Questions

What is the IUPAC name of 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 137419728) is 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C(C)C1(F)CN2CCCC2(CN=[N+]=[N-])C1.
What is the InChIKey of 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is NGDFKUHOURBQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-9(2)11(12)6-10(7-14-15-13)4-3-5-16(10)8-11/h1,3-8H2,2H3.
What are the key properties of 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 224.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 137419728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).