5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole

C19H25NO — CID 102901099

IUPAC5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
SMILESCc1ccc2c(ccn2CC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C19H25NO/c1-15-5-6-18-16(13-15)8-12-20(18)14-17-7-11-19(21-17)9-3-2-4-10-19/h5-6,8,12-13,17H,2-4,7,9-11,14H2,1H3
InChIKeyDPKLIJZPVYBLAR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.83
Rot. Bonds2

About 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole

5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole (PubChem CID 102901099) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
PubChem CID102901099
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
SMILESCc1ccc2c(ccn2CC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C19H25NO/c1-15-5-6-18-16(13-15)8-12-20(18)14-17-7-11-19(21-17)9-3-2-4-10-19/h5-6,8,12-13,17H,2-4,7,9-11,14H2,1H3
InChIKeyDPKLIJZPVYBLAR-UHFFFAOYSA-N
XLogP4.83
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole?
The IUPAC name of 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole (CID 102901099) is 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole.
What is the SMILES notation for 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole?
The canonical SMILES for 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole is Cc1ccc2c(ccn2CC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole?
The InChIKey is DPKLIJZPVYBLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-5-6-18-16(13-15)8-12-20(18)14-17-7-11-19(21-17)9-3-2-4-10-19/h5-6,8,12-13,17H,2-4,7,9-11,14H2,1H3.
What are the key properties of 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole?
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole has a molecular weight of 283.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole is sourced from PubChem (CID 102901099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).