4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole

C10H13NO — CID 58085715

IUPAC4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole
SMILESCC(C)=C1CCCc2ocnc21
InChIInChI=1S/C10H13NO/c1-7(2)8-4-3-5-9-10(8)11-6-12-9/h6H,3-5H2,1-2H3
InChIKeyPJUAWWHRSUOGQI-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.80
Rot. Bonds

About 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole

4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole (PubChem CID 58085715) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole.

Molecular Properties

Compound Name4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole
PubChem CID58085715
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole
SMILESCC(C)=C1CCCc2ocnc21
InChIInChI=1S/C10H13NO/c1-7(2)8-4-3-5-9-10(8)11-6-12-9/h6H,3-5H2,1-2H3
InChIKeyPJUAWWHRSUOGQI-UHFFFAOYSA-N
XLogP2.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole?
The IUPAC name of 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole (CID 58085715) is 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole.
What is the SMILES notation for 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole?
The canonical SMILES for 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole is CC(C)=C1CCCc2ocnc21.
What is the InChIKey of 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole?
The InChIKey is PJUAWWHRSUOGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7(2)8-4-3-5-9-10(8)11-6-12-9/h6H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole?
4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole has a molecular weight of 163.22 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidene-6,7-dihydro-5H-1,3-benzoxazole is sourced from PubChem (CID 58085715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).