8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine

C20H20N2O — CID 141227735

IUPAC8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine
SMILESC=Cc1ccc2c(c1)c(O[C@H]1CN[C@@H](C)C1)nc1ccccc12
InChIInChI=1S/C20H20N2O/c1-3-14-8-9-16-17-6-4-5-7-19(17)22-20(18(16)11-14)23-15-10-13(2)21-12-15/h3-9,11,13,15,21H,1,10,12H2,2H3/t13-,15+/m0/s1
InChIKeyKNYPWUNTWNIAGI-DZGCQCFKSA-N
MW304.39 g/mol
LogP4.16
Rot. Bonds3

About 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine

8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine (PubChem CID 141227735) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine.

Molecular Properties

Compound Name8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine
PubChem CID141227735
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine
SMILESC=Cc1ccc2c(c1)c(O[C@H]1CN[C@@H](C)C1)nc1ccccc12
InChIInChI=1S/C20H20N2O/c1-3-14-8-9-16-17-6-4-5-7-19(17)22-20(18(16)11-14)23-15-10-13(2)21-12-15/h3-9,11,13,15,21H,1,10,12H2,2H3/t13-,15+/m0/s1
InChIKeyKNYPWUNTWNIAGI-DZGCQCFKSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine?
The IUPAC name of 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine (CID 141227735) is 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine.
What is the SMILES notation for 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine?
The canonical SMILES for 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine is C=Cc1ccc2c(c1)c(O[C@H]1CN[C@@H](C)C1)nc1ccccc12.
What is the InChIKey of 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine?
The InChIKey is KNYPWUNTWNIAGI-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-14-8-9-16-17-6-4-5-7-19(17)22-20(18(16)11-14)23-15-10-13(2)21-12-15/h3-9,11,13,15,21H,1,10,12H2,2H3/t13-,15+/m0/s1.
What are the key properties of 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine?
8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine has a molecular weight of 304.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxyphenanthridine is sourced from PubChem (CID 141227735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).