6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]

C13H17NO — CID 84620045

IUPAC6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
SMILESCOc1ccc2c(c1)CC1(CC2)CNC1
InChIInChI=1S/C13H17NO/c1-15-12-3-2-10-4-5-13(8-14-9-13)7-11(10)6-12/h2-3,6,14H,4-5,7-9H2,1H3
InChIKeyDJWHESSTXJAPKW-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds1

About 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]

6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine] (PubChem CID 84620045) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine].

Molecular Properties

Compound Name6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
PubChem CID84620045
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
SMILESCOc1ccc2c(c1)CC1(CC2)CNC1
InChIInChI=1S/C13H17NO/c1-15-12-3-2-10-4-5-13(8-14-9-13)7-11(10)6-12/h2-3,6,14H,4-5,7-9H2,1H3
InChIKeyDJWHESSTXJAPKW-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]?
The IUPAC name of 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine] (CID 84620045) is 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine].
What is the SMILES notation for 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]?
The canonical SMILES for 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine] is COc1ccc2c(c1)CC1(CC2)CNC1.
What is the InChIKey of 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]?
The InChIKey is DJWHESSTXJAPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-12-3-2-10-4-5-13(8-14-9-13)7-11(10)6-12/h2-3,6,14H,4-5,7-9H2,1H3.
What are the key properties of 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]?
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine] has a molecular weight of 203.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine] is sourced from PubChem (CID 84620045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).