(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]

C11H13NO — CID 124635965

IUPAC(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
SMILESc1ccc2c(c1)NC[C@]21CCOC1
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)11(7-12-10)5-6-13-8-11/h1-4,12H,5-8H2/t11-/m0/s1
InChIKeyJLKSCGKKIWNBDH-NSHDSACASA-N
MW175.23 g/mol
LogP1.77
Rot. Bonds

About (3S)-spiro[1,2-dihydroindole-3,3'-oxolane]

(3S)-spiro[1,2-dihydroindole-3,3'-oxolane] (PubChem CID 124635965) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3S)-spiro[1,2-dihydroindole-3,3'-oxolane].

Molecular Properties

Compound Name(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
PubChem CID124635965
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
SMILESc1ccc2c(c1)NC[C@]21CCOC1
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)11(7-12-10)5-6-13-8-11/h1-4,12H,5-8H2/t11-/m0/s1
InChIKeyJLKSCGKKIWNBDH-NSHDSACASA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[1,2-dihydroindole-3,3'-oxolane]?
The IUPAC name of (3S)-spiro[1,2-dihydroindole-3,3'-oxolane] (CID 124635965) is (3S)-spiro[1,2-dihydroindole-3,3'-oxolane].
What is the SMILES notation for (3S)-spiro[1,2-dihydroindole-3,3'-oxolane]?
The canonical SMILES for (3S)-spiro[1,2-dihydroindole-3,3'-oxolane] is c1ccc2c(c1)NC[C@]21CCOC1.
What is the InChIKey of (3S)-spiro[1,2-dihydroindole-3,3'-oxolane]?
The InChIKey is JLKSCGKKIWNBDH-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10-9(3-1)11(7-12-10)5-6-13-8-11/h1-4,12H,5-8H2/t11-/m0/s1.
What are the key properties of (3S)-spiro[1,2-dihydroindole-3,3'-oxolane]?
(3S)-spiro[1,2-dihydroindole-3,3'-oxolane] has a molecular weight of 175.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[1,2-dihydroindole-3,3'-oxolane] is sourced from PubChem (CID 124635965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).