1-phenanthren-1-ylpyrrolidine

C18H17N — CID 138533599

IUPAC1-phenanthren-1-ylpyrrolidine
SMILESc1ccc2c(c1)ccc1c(N3CCCC3)cccc12
InChIInChI=1S/C18H17N/c1-2-7-15-14(6-1)10-11-17-16(15)8-5-9-18(17)19-12-3-4-13-19/h1-2,5-11H,3-4,12-13H2
InChIKeyWLJBXJLISIGCOX-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.59
Rot. Bonds1

About 1-phenanthren-1-ylpyrrolidine

1-phenanthren-1-ylpyrrolidine (PubChem CID 138533599) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-phenanthren-1-ylpyrrolidine.

Molecular Properties

Compound Name1-phenanthren-1-ylpyrrolidine
PubChem CID138533599
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1-phenanthren-1-ylpyrrolidine
SMILESc1ccc2c(c1)ccc1c(N3CCCC3)cccc12
InChIInChI=1S/C18H17N/c1-2-7-15-14(6-1)10-11-17-16(15)8-5-9-18(17)19-12-3-4-13-19/h1-2,5-11H,3-4,12-13H2
InChIKeyWLJBXJLISIGCOX-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-1-ylpyrrolidine?
The IUPAC name of 1-phenanthren-1-ylpyrrolidine (CID 138533599) is 1-phenanthren-1-ylpyrrolidine.
What is the SMILES notation for 1-phenanthren-1-ylpyrrolidine?
The canonical SMILES for 1-phenanthren-1-ylpyrrolidine is c1ccc2c(c1)ccc1c(N3CCCC3)cccc12.
What is the InChIKey of 1-phenanthren-1-ylpyrrolidine?
The InChIKey is WLJBXJLISIGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-2-7-15-14(6-1)10-11-17-16(15)8-5-9-18(17)19-12-3-4-13-19/h1-2,5-11H,3-4,12-13H2.
What are the key properties of 1-phenanthren-1-ylpyrrolidine?
1-phenanthren-1-ylpyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-1-ylpyrrolidine is sourced from PubChem (CID 138533599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).