7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one

C8H9NO2 — CID 177065357

IUPAC7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESCC1=c2oc(=O)[nH]c2=CCC1
InChIInChI=1S/C8H9NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h4H,2-3H2,1H3,(H,9,10)
InChIKeyDLYMFNBPIDQWCF-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.29
Rot. Bonds

About 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one

7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one (PubChem CID 177065357) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
PubChem CID177065357
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESCC1=c2oc(=O)[nH]c2=CCC1
InChIInChI=1S/C8H9NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h4H,2-3H2,1H3,(H,9,10)
InChIKeyDLYMFNBPIDQWCF-UHFFFAOYSA-N
XLogP-0.29
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylene-5-propylidene-2-oxazolidinone
CID 129708942
6-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 68030197
5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 69153790
(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one
CID 71012702
(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 89024034
5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 89029209
5-Ethylidene-4-propylidene-1,3-oxazolidin-2-one
CID 123289178
5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 123560061
(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one
CID 135202415
3,7-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen
CID 142448158
5,5-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
CID 143003456
7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
CID 143776291

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one (CID 177065357) is 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one is CC1=c2oc(=O)[nH]c2=CCC1.
What is the InChIKey of 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The InChIKey is DLYMFNBPIDQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one?
7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 177065357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).