2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole

C17H15N — CID 21493546

IUPAC2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole
SMILESCN1Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C17H15N/c1-18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)11-18/h2-9H,10-11H2,1H3
InChIKeyIDLULYPJBMAMIU-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.94
Rot. Bonds

About 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole

2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole (PubChem CID 21493546) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole.

Molecular Properties

Compound Name2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole
PubChem CID21493546
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole
SMILESCN1Cc2c(c3ccccc3c3ccccc23)C1
InChIInChI=1S/C17H15N/c1-18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)11-18/h2-9H,10-11H2,1H3
InChIKeyIDLULYPJBMAMIU-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.94
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 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole?
The IUPAC name of 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole (CID 21493546) is 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole.
What is the SMILES notation for 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole?
The canonical SMILES for 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole is CN1Cc2c(c3ccccc3c3ccccc23)C1.
What is the InChIKey of 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole?
The InChIKey is IDLULYPJBMAMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)11-18/h2-9H,10-11H2,1H3.
What are the key properties of 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole?
2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole has a molecular weight of 233.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydrophenanthro[9,10-c]pyrrole is sourced from PubChem (CID 21493546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).