6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

C13H16N2O — CID 10036256

IUPAC6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESCOc1ccc2c(c1)CC1(CC2)CN=CN1
InChIInChI=1S/C13H16N2O/c1-16-12-3-2-10-4-5-13(7-11(10)6-12)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyPCMFDIVLXLOWGP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.55
Rot. Bonds1

About 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 10036256) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
PubChem CID10036256
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESCOc1ccc2c(c1)CC1(CC2)CN=CN1
InChIInChI=1S/C13H16N2O/c1-16-12-3-2-10-4-5-13(7-11(10)6-12)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyPCMFDIVLXLOWGP-UHFFFAOYSA-N
XLogP1.55
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (CID 10036256) is 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is COc1ccc2c(c1)CC1(CC2)CN=CN1.
What is the InChIKey of 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is PCMFDIVLXLOWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-12-3-2-10-4-5-13(7-11(10)6-12)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 216.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 10036256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).