6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]

C13H17NO — CID 142339893

IUPAC6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]
SMILESCC(C)c1ccc2c(c1)COC21CNC1
InChIInChI=1S/C13H17NO/c1-9(2)10-3-4-12-11(5-10)6-15-13(12)7-14-8-13/h3-5,9,14H,6-8H2,1-2H3
InChIKeyCWTNGTIOKLJENP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.14
Rot. Bonds1

About 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]

6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine] (PubChem CID 142339893) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine].

Molecular Properties

Compound Name6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]
PubChem CID142339893
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]
SMILESCC(C)c1ccc2c(c1)COC21CNC1
InChIInChI=1S/C13H17NO/c1-9(2)10-3-4-12-11(5-10)6-15-13(12)7-14-8-13/h3-5,9,14H,6-8H2,1-2H3
InChIKeyCWTNGTIOKLJENP-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]?
The IUPAC name of 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine] (CID 142339893) is 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine].
What is the SMILES notation for 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]?
The canonical SMILES for 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine] is CC(C)c1ccc2c(c1)COC21CNC1.
What is the InChIKey of 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]?
The InChIKey is CWTNGTIOKLJENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)10-3-4-12-11(5-10)6-15-13(12)7-14-8-13/h3-5,9,14H,6-8H2,1-2H3.
What are the key properties of 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]?
6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine] has a molecular weight of 203.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine] is sourced from PubChem (CID 142339893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).