3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride

C18H23ClN2O2 — CID 176681696

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride
SMILESCl.O=c1c(CN2CCNCC23CCCC3)coc2ccccc12
InChIInChI=1S/C18H22N2O2.ClH/c21-17-14(12-22-16-6-2-1-5-15(16)17)11-20-10-9-19-13-18(20)7-3-4-8-18;/h1-2,5-6,12,19H,3-4,7-11,13H2;1H
InChIKeyCPWXAJYQFZSXIW-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.93
Rot. Bonds2

About 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride (PubChem CID 176681696) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride
PubChem CID176681696
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride
SMILESCl.O=c1c(CN2CCNCC23CCCC3)coc2ccccc12
InChIInChI=1S/C18H22N2O2.ClH/c21-17-14(12-22-16-6-2-1-5-15(16)17)11-20-10-9-19-13-18(20)7-3-4-8-18;/h1-2,5-6,12,19H,3-4,7-11,13H2;1H
InChIKeyCPWXAJYQFZSXIW-UHFFFAOYSA-N
XLogP2.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride (CID 176681696) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride is Cl.O=c1c(CN2CCNCC23CCCC3)coc2ccccc12.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride?
The InChIKey is CPWXAJYQFZSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c21-17-14(12-22-16-6-2-1-5-15(16)17)11-20-10-9-19-13-18(20)7-3-4-8-18;/h1-2,5-6,12,19H,3-4,7-11,13H2;1H.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride is sourced from PubChem (CID 176681696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).