1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane

C18H29NO2 — CID 54165833

IUPAC1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane
SMILESCC.CC.O=C1OCc2ccccc2N1C1CCCCC1
InChIInChI=1S/C14H17NO2.2C2H6/c16-14-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-17-14;2*1-2/h4-6,9,12H,1-3,7-8,10H2;2*1-2H3
InChIKeyOROKNJOEHWVUAR-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.53
Rot. Bonds1

About 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane

1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane (PubChem CID 54165833) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane.

Molecular Properties

Compound Name1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane
PubChem CID54165833
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane
SMILESCC.CC.O=C1OCc2ccccc2N1C1CCCCC1
InChIInChI=1S/C14H17NO2.2C2H6/c16-14-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-17-14;2*1-2/h4-6,9,12H,1-3,7-8,10H2;2*1-2H3
InChIKeyOROKNJOEHWVUAR-UHFFFAOYSA-N
XLogP5.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane?
The IUPAC name of 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane (CID 54165833) is 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane.
What is the SMILES notation for 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane?
The canonical SMILES for 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane is CC.CC.O=C1OCc2ccccc2N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane?
The InChIKey is OROKNJOEHWVUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.2C2H6/c16-14-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-17-14;2*1-2/h4-6,9,12H,1-3,7-8,10H2;2*1-2H3.
What are the key properties of 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane?
1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane has a molecular weight of 291.44 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane is sourced from PubChem (CID 54165833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).