2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 116990876

IUPAC2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
SMILESCNC1CCC(C2Oc3ccccc3NC2=O)CC1
InChIInChI=1S/C15H20N2O2/c1-16-11-8-6-10(7-9-11)14-15(18)17-12-4-2-3-5-13(12)19-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18)
InChIKeyIPAYCVKSJZGCTO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds2

About 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one

2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one (PubChem CID 116990876) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
PubChem CID116990876
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
SMILESCNC1CCC(C2Oc3ccccc3NC2=O)CC1
InChIInChI=1S/C15H20N2O2/c1-16-11-8-6-10(7-9-11)14-15(18)17-12-4-2-3-5-13(12)19-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18)
InChIKeyIPAYCVKSJZGCTO-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one (CID 116990876) is 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one is CNC1CCC(C2Oc3ccccc3NC2=O)CC1.
What is the InChIKey of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is IPAYCVKSJZGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-11-8-6-10(7-9-11)14-15(18)17-12-4-2-3-5-13(12)19-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one?
2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116990876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).