6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole

C10H11NO — CID 167585007

IUPAC6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole
SMILESC=C1Nc2ccc(C)c(C)c2O1
InChIInChI=1S/C10H11NO/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4-5,11H,3H2,1-2H3
InChIKeyFXVWACPHWMHVMV-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.58
Rot. Bonds

About 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole

6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole (PubChem CID 167585007) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole.

Molecular Properties

Compound Name6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole
PubChem CID167585007
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole
SMILESC=C1Nc2ccc(C)c(C)c2O1
InChIInChI=1S/C10H11NO/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4-5,11H,3H2,1-2H3
InChIKeyFXVWACPHWMHVMV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole
CID 158371515
4,7-dimethyl-1,3-benzodioxole-2,2-diamine
CID 163487863
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
2,3,6-trimethylaniline
CID 11958947
4,5-dimethyl-1,3-benzodioxole
CID 12958464
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047408
2,4,5-trimethyl-1,3-benzodioxole
CID 175318091
2,4,5-trimethyl-1,3-benzoxazole
CID 54244945
(2,3,4-trimethylphenyl)phosphane
CID 19864163
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
1,2-dimethyl-11H-benzo[b][4,1]benzoxazepin-6-one
CID 125471235
3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
CID 82187288

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole?
The IUPAC name of 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole (CID 167585007) is 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole.
What is the SMILES notation for 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole?
The canonical SMILES for 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole is C=C1Nc2ccc(C)c(C)c2O1.
What is the InChIKey of 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole?
The InChIKey is FXVWACPHWMHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4-5,11H,3H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole?
6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole has a molecular weight of 161.20 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-methylidene-3H-1,3-benzoxazole is sourced from PubChem (CID 167585007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).