1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one

C8H15N3O — CID 75355841

IUPAC1-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NCC12CCNCC2
InChIInChI=1S/C8H15N3O/c1-11-7(12)10-6-8(11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,12)
InChIKeyGIHYAWRCQRJWNV-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.70
Rot. Bonds

About 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one

1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one (PubChem CID 75355841) has the molecular formula C8H15N3O and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-methyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one
PubChem CID75355841
Molecular FormulaC8H15N3O
Molecular Weight169.22 g/mol
Exact Mass169.12
IUPAC Name1-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NCC12CCNCC2
InChIInChI=1S/C8H15N3O/c1-11-7(12)10-6-8(11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,12)
InChIKeyGIHYAWRCQRJWNV-UHFFFAOYSA-N
XLogP-0.70
TPSA44.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity198

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperidin-4-yl)imidazolidin-2-one hydrochloride
CID 13031758
1-(2-(Piperidin-1-yl)ethyl)imidazolidin-2-one
CID 17987132
1-(Piperidin-3-yl)imidazolidin-2-one
CID 45791720
1-[(Piperidin-4-yl)methyl]imidazolidin-2-one
CID 61649405
1,3,7-Triazaspiro(4.5)decan-2-one
CID 83679914
(4aS,7aS)-N-(2-methylpropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 97377267
1,3,8-Triazaspiro[4.5]decan-2-one
CID 379975
1-Methyl-3-(piperidin-4-yl)imidazolidin-2-one
CID 23463798
1-Ethyl-3-(piperidin-4-yl)imidazolidin-2-one hydrochloride
CID 54593098
1,3,8-Triazaspiro(4.5)decan-2-one hydrochloride
CID 92132788
N-(tert-butyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 110197846
1-(Piperidin-4-yl)imidazolidin-2-one
CID 13031757

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one?
The IUPAC name of 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one (CID 75355841) is 1-methyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one?
The canonical SMILES for 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one is CN1C(=O)NCC12CCNCC2.
What is the InChIKey of 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one?
The InChIKey is GIHYAWRCQRJWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-7(12)10-6-8(11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,12).
What are the key properties of 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one?
1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one has a molecular weight of 169.22 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one is sourced from PubChem (CID 75355841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).