2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one

C12H16N2O2 — CID 584422

IUPAC2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one
SMILESNc1ccc(CN2CCOCC2)ccc1=O
InChIInChI=1S/C12H16N2O2/c13-11-3-1-10(2-4-12(11)15)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H2,13,15)
InChIKeyOLFGPVNJRAOUJI-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.46
Rot. Bonds2

About 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one

2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one (PubChem CID 584422) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one
PubChem CID584422
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one
SMILESNc1ccc(CN2CCOCC2)ccc1=O
InChIInChI=1S/C12H16N2O2/c13-11-3-1-10(2-4-12(11)15)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H2,13,15)
InChIKeyOLFGPVNJRAOUJI-UHFFFAOYSA-N
XLogP0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one (CID 584422) is 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one is Nc1ccc(CN2CCOCC2)ccc1=O.
What is the InChIKey of 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one?
The InChIKey is OLFGPVNJRAOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11-3-1-10(2-4-12(11)15)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H2,13,15).
What are the key properties of 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one?
2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 220.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 584422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).