8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C13H22N2O — CID 97370119

IUPAC8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(CC3CC3)CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-14-7-4-13(12(14)16)5-8-15(9-6-13)10-11-2-3-11/h11H,2-10H2,1H3
InChIKeyOPMLCUAIQNXVDH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.34
Rot. Bonds2

About 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370119) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370119
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(CC3CC3)CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-14-7-4-13(12(14)16)5-8-15(9-6-13)10-11-2-3-11/h11H,2-10H2,1H3
InChIKeyOPMLCUAIQNXVDH-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 97370119) is 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(CC3CC3)CC2)C1=O.
What is the InChIKey of 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OPMLCUAIQNXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-7-4-13(12(14)16)5-8-15(9-6-13)10-11-2-3-11/h11H,2-10H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).