(5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane

C16H20N2O — CID 164640508

IUPAC(5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESc1cc(CN2CC[C@]3(CCOC3)C2)c2cc[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-2-13(14-4-7-17-15(14)3-1)10-18-8-5-16(11-18)6-9-19-12-16/h1-4,7,17H,5-6,8-12H2/t16-/m0/s1
InChIKeyMRYQITRDQNDHSY-INIZCTEOSA-N
MW256.35 g/mol
LogP2.78
Rot. Bonds2

About (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane

(5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 164640508) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID164640508
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESc1cc(CN2CC[C@]3(CCOC3)C2)c2cc[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-2-13(14-4-7-17-15(14)3-1)10-18-8-5-16(11-18)6-9-19-12-16/h1-4,7,17H,5-6,8-12H2/t16-/m0/s1
InChIKeyMRYQITRDQNDHSY-INIZCTEOSA-N
XLogP2.78
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane (CID 164640508) is (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane is c1cc(CN2CC[C@]3(CCOC3)C2)c2cc[nH]c2c1.
What is the InChIKey of (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is MRYQITRDQNDHSY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-13(14-4-7-17-15(14)3-1)10-18-8-5-16(11-18)6-9-19-12-16/h1-4,7,17H,5-6,8-12H2/t16-/m0/s1.
What are the key properties of (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
(5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 256.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(1H-indol-4-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 164640508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).