1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride

C13H16ClNO — CID 87538998

IUPAC1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride
SMILESCl.OC1CCC2NC=c3ccccc3=C2C1
InChIInChI=1S/C13H15NO.ClH/c15-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13;/h1-4,8,10,13-15H,5-7H2;1H
InChIKeyJTLSERNXZQQQJN-UHFFFAOYSA-N
MW237.73 g/mol
LogP0.51
Rot. Bonds

About 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride

1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride (PubChem CID 87538998) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride
PubChem CID87538998
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride
SMILESCl.OC1CCC2NC=c3ccccc3=C2C1
InChIInChI=1S/C13H15NO.ClH/c15-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13;/h1-4,8,10,13-15H,5-7H2;1H
InChIKeyJTLSERNXZQQQJN-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride 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 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride (CID 87538998) is 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride is Cl.OC1CCC2NC=c3ccccc3=C2C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride?
The InChIKey is JTLSERNXZQQQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.ClH/c15-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13;/h1-4,8,10,13-15H,5-7H2;1H.
What are the key properties of 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride?
1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydrophenanthridin-2-ol;hydrochloride is sourced from PubChem (CID 87538998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).