(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

C17H19ClN2O2 — CID 72929058

IUPAC(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCc1c(C(=O)N2CCC3(CCO3)CC2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H19ClN2O2/c1-11-13-10-12(18)2-3-14(13)19-15(11)16(21)20-7-4-17(5-8-20)6-9-22-17/h2-3,10,19H,4-9H2,1H3
InChIKeyTZEZCDVARJIDCE-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.52
Rot. Bonds1

About (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 72929058) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID72929058
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCc1c(C(=O)N2CCC3(CCO3)CC2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H19ClN2O2/c1-11-13-10-12(18)2-3-14(13)19-15(11)16(21)20-7-4-17(5-8-20)6-9-22-17/h2-3,10,19H,4-9H2,1H3
InChIKeyTZEZCDVARJIDCE-UHFFFAOYSA-N
XLogP3.52
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (CID 72929058) is (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is Cc1c(C(=O)N2CCC3(CCO3)CC2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is TZEZCDVARJIDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-13-10-12(18)2-3-14(13)19-15(11)16(21)20-7-4-17(5-8-20)6-9-22-17/h2-3,10,19H,4-9H2,1H3.
What are the key properties of (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 318.80 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 72929058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).