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

C11H18FN — CID 170097539

IUPAC(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C11H18FN/c1-2-4-11-5-3-6-13(11)9-10(7-11)8-12/h8H,2-7,9H2,1H3/b10-8+
InChIKeyBXEKUNBCWNDWIT-CSKARUKUSA-N
MW183.27 g/mol
LogP2.88
Rot. Bonds2

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

(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170097539) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170097539
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C11H18FN/c1-2-4-11-5-3-6-13(11)9-10(7-11)8-12/h8H,2-7,9H2,1H3/b10-8+
InChIKeyBXEKUNBCWNDWIT-CSKARUKUSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170097539) is (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine is CCCC12CCCN1C/C(=C/F)C2.
What is the InChIKey of (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is BXEKUNBCWNDWIT-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18FN/c1-2-4-11-5-3-6-13(11)9-10(7-11)8-12/h8H,2-7,9H2,1H3/b10-8+.
What are the key properties of (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 183.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170097539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).