5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one

C9H9NO2 — CID 145267146

IUPAC5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
SMILESCC1C2C=c3[nH]c(=O)oc3=CC12
InChIInChI=1S/C9H9NO2/c1-4-5-2-7-8(3-6(4)5)12-9(11)10-7/h2-6H,1H3,(H,10,11)
InChIKeyGNVSZQNITHLEQW-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.58
Rot. Bonds

About 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one

5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one (PubChem CID 145267146) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
PubChem CID145267146
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
SMILESCC1C2C=c3[nH]c(=O)oc3=CC12
InChIInChI=1S/C9H9NO2/c1-4-5-2-7-8(3-6(4)5)12-9(11)10-7/h2-6H,1H3,(H,10,11)
InChIKeyGNVSZQNITHLEQW-UHFFFAOYSA-N
XLogP-0.58
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 68030197
(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
5,6-dihydro-3H-1,3-benzoxazol-2-one;molecular hydrogen
CID 144173132
5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;molecular hydrogen
CID 145057991
3,4a,5,5a-Tetrahydrocyclopropa[f][1,3]benzoxazol-2-one;ethane;molecular hydrogen
CID 145152725
5-Methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one;molecular hydrogen
CID 145267145
(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one
CID 170141505
ethane;7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 177065356
5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
CID 145057992
3,4a,5,5a-Tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
CID 145152726
7-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 177065357

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
The IUPAC name of 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one (CID 145267146) is 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
The canonical SMILES for 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one is CC1C2C=c3[nH]c(=O)oc3=CC12.
What is the InChIKey of 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
The InChIKey is GNVSZQNITHLEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-4-5-2-7-8(3-6(4)5)12-9(11)10-7/h2-6H,1H3,(H,10,11).
What are the key properties of 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one has a molecular weight of 163.18 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one is sourced from PubChem (CID 145267146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).