3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide

C14H16N2O — CID 140547591

IUPAC3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide
SMILESNC(=O)N1Cc2ccccc2C2=CCCCC21
InChIInChI=1S/C14H16N2O/c15-14(17)16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-2,5-7,13H,3-4,8-9H2,(H2,15,17)
InChIKeyQBIFEUBAXZBICO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.52
Rot. Bonds

About 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide

3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide (PubChem CID 140547591) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide.

Molecular Properties

Compound Name3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide
PubChem CID140547591
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide
SMILESNC(=O)N1Cc2ccccc2C2=CCCCC21
InChIInChI=1S/C14H16N2O/c15-14(17)16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-2,5-7,13H,3-4,8-9H2,(H2,15,17)
InChIKeyQBIFEUBAXZBICO-UHFFFAOYSA-N
XLogP2.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide?
The IUPAC name of 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide (CID 140547591) is 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide.
What is the SMILES notation for 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide?
The canonical SMILES for 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide is NC(=O)N1Cc2ccccc2C2=CCCCC21.
What is the InChIKey of 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide?
The InChIKey is QBIFEUBAXZBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-14(17)16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-2,5-7,13H,3-4,8-9H2,(H2,15,17).
What are the key properties of 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide?
3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,6-tetrahydro-2H-phenanthridine-5-carboxamide is sourced from PubChem (CID 140547591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).