2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one

C13H14N2O — CID 172552848

IUPAC2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one
SMILESNc1ccc2[nH]c(=O)c3c(c2c1)CCCC3
InChIInChI=1S/C13H14N2O/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h5-7H,1-4,14H2,(H,15,16)
InChIKeyPFKIIIMLNYPKPI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.99
Rot. Bonds

About 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one

2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one (PubChem CID 172552848) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one.

Molecular Properties

Compound Name2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one
PubChem CID172552848
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one
SMILESNc1ccc2[nH]c(=O)c3c(c2c1)CCCC3
InChIInChI=1S/C13H14N2O/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h5-7H,1-4,14H2,(H,15,16)
InChIKeyPFKIIIMLNYPKPI-UHFFFAOYSA-N
XLogP1.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one?
The IUPAC name of 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one (CID 172552848) is 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one.
What is the SMILES notation for 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one?
The canonical SMILES for 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one is Nc1ccc2[nH]c(=O)c3c(c2c1)CCCC3.
What is the InChIKey of 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one?
The InChIKey is PFKIIIMLNYPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h5-7H,1-4,14H2,(H,15,16).
What are the key properties of 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one?
2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one has a molecular weight of 214.27 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one is sourced from PubChem (CID 172552848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).