(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine

C17H19N3 — CID 10659359

IUPAC(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
SMILESC=CCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C17H19N3/c1-2-7-20-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)20)10-18-19-16/h2-6,10,15,17H,1,7-9,11H2,(H,18,19)/t15-,17+/m0/s1
InChIKeyUGFPXXYUOKXTQN-DOTOQJQBSA-N
MW265.36 g/mol
LogP2.66
Rot. Bonds2

About (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine

(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine (PubChem CID 10659359) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine.

Molecular Properties

Compound Name(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
PubChem CID10659359
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
SMILESC=CCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C17H19N3/c1-2-7-20-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)20)10-18-19-16/h2-6,10,15,17H,1,7-9,11H2,(H,18,19)/t15-,17+/m0/s1
InChIKeyUGFPXXYUOKXTQN-DOTOQJQBSA-N
XLogP2.66
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The IUPAC name of (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine (CID 10659359) is (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine.
What is the SMILES notation for (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The canonical SMILES for (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine is C=CCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21.
What is the InChIKey of (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The InChIKey is UGFPXXYUOKXTQN-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-7-20-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)20)10-18-19-16/h2-6,10,15,17H,1,7-9,11H2,(H,18,19)/t15-,17+/m0/s1.
What are the key properties of (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine has a molecular weight of 265.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine is sourced from PubChem (CID 10659359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).