11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline

C17H18FN — CID 71019876

IUPAC11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline
SMILESFC1=CCC2C(=C1)N=C1CCCCCC1=C2C1C=C1
InChIInChI=1S/C17H18FN/c18-12-8-9-14-16(10-12)19-15-5-3-1-2-4-13(15)17(14)11-6-7-11/h6-8,10-11,14H,1-5,9H2
InChIKeyFOLNGYDPHDTEKP-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.64
Rot. Bonds1

About 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline

11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline (PubChem CID 71019876) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline
PubChem CID71019876
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline
SMILESFC1=CCC2C(=C1)N=C1CCCCCC1=C2C1C=C1
InChIInChI=1S/C17H18FN/c18-12-8-9-14-16(10-12)19-15-5-3-1-2-4-13(15)17(14)11-6-7-11/h6-8,10-11,14H,1-5,9H2
InChIKeyFOLNGYDPHDTEKP-UHFFFAOYSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline?
The IUPAC name of 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline (CID 71019876) is 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline?
The canonical SMILES for 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline is FC1=CCC2C(=C1)N=C1CCCCCC1=C2C1C=C1.
What is the InChIKey of 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline?
The InChIKey is FOLNGYDPHDTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-12-8-9-14-16(10-12)19-15-5-3-1-2-4-13(15)17(14)11-6-7-11/h6-8,10-11,14H,1-5,9H2.
What are the key properties of 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline?
11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline has a molecular weight of 255.34 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cycloprop-2-en-1-yl-3-fluoro-6,7,8,9,10,11a-hexahydro-1H-cyclohepta[b]quinoline is sourced from PubChem (CID 71019876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).