5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole

C10H13NO — CID 138722222

IUPAC5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
SMILESCC1(C)C=CC=C2OCNC2=C1
InChIInChI=1S/C10H13NO/c1-10(2)5-3-4-9-8(6-10)11-7-12-9/h3-6,11H,7H2,1-2H3
InChIKeyDUKVNYYPIPEOJB-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.93
Rot. Bonds

About 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole

5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole (PubChem CID 138722222) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
PubChem CID138722222
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
SMILESCC1(C)C=CC=C2OCNC2=C1
InChIInChI=1S/C10H13NO/c1-10(2)5-3-4-9-8(6-10)11-7-12-9/h3-6,11H,7H2,1-2H3
InChIKeyDUKVNYYPIPEOJB-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 126516952
7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142187500
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
5,5-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
CID 143003456
3,6-dihydro-2H-cyclohepta[d][1,3]oxazole;ethane
CID 143229970
ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
CID 143256258
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
CID 143776291
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
CID 143817261
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
CID 144877979
Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
Ethane;5-methyl-5-propyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 145605959

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
The IUPAC name of 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole (CID 138722222) is 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole.
What is the SMILES notation for 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
The canonical SMILES for 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole is CC1(C)C=CC=C2OCNC2=C1.
What is the InChIKey of 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
The InChIKey is DUKVNYYPIPEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)5-3-4-9-8(6-10)11-7-12-9/h3-6,11H,7H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole has a molecular weight of 163.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole is sourced from PubChem (CID 138722222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).