5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine

C16H15N — CID 123773831

IUPAC5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine
SMILES[H]/N=C1\CC=C2C3C1=CCC=C3C1C=CC=CC21
InChIInChI=1S/C16H15N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-2,4-8,10-11,16-17H,3,9H2/b17-15+
InChIKeyOHLVCIDONORCEL-BMRADRMJSA-N
MW221.30 g/mol
LogP3.58
Rot. Bonds

About 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine

5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine (PubChem CID 123773831) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine.

Molecular Properties

Compound Name5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine
PubChem CID123773831
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine
SMILES[H]/N=C1\CC=C2C3C1=CCC=C3C1C=CC=CC21
InChIInChI=1S/C16H15N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-2,4-8,10-11,16-17H,3,9H2/b17-15+
InChIKeyOHLVCIDONORCEL-BMRADRMJSA-N
XLogP3.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine?
The IUPAC name of 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine (CID 123773831) is 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine.
What is the SMILES notation for 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine?
The canonical SMILES for 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine is [H]/N=C1\CC=C2C3C1=CCC=C3C1C=CC=CC21.
What is the InChIKey of 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine?
The InChIKey is OHLVCIDONORCEL-BMRADRMJSA-N. The full InChI is InChI=1S/C16H15N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-2,4-8,10-11,16-17H,3,9H2/b17-15+.
What are the key properties of 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine?
5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine has a molecular weight of 221.30 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine is sourced from PubChem (CID 123773831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).