9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one

C9H17N3O — CID 58984551

IUPAC9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESCN1CCC2(CCNC(=O)N2)CC1
InChIInChI=1S/C9H17N3O/c1-12-6-3-9(4-7-12)2-5-10-8(13)11-9/h2-7H2,1H3,(H2,10,11,13)
InChIKeyBEQRJNGGLJLVQA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.15
Rot. Bonds

About 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one

9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one (PubChem CID 58984551) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one
PubChem CID58984551
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESCN1CCC2(CCNC(=O)N2)CC1
InChIInChI=1S/C9H17N3O/c1-12-6-3-9(4-7-12)2-5-10-8(13)11-9/h2-7H2,1H3,(H2,10,11,13)
InChIKeyBEQRJNGGLJLVQA-UHFFFAOYSA-N
XLogP0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
2,4,9-Triazaspiro[5.5]undecan-3-one
CID 22386654
N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 118738744
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
4-amino-N-tert-butylpiperidine-1-carboxamide
CID 28785595
1,3-Di(piperidin-4-yl)urea
CID 58973009
4-amino-N-tert-butylpiperidine-1-carboxamide dihydrochloride
CID 71757797
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
2-Ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 167731155
4-Methyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 177800747
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one (CID 58984551) is 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one is CN1CCC2(CCNC(=O)N2)CC1.
What is the InChIKey of 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one?
The InChIKey is BEQRJNGGLJLVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12-6-3-9(4-7-12)2-5-10-8(13)11-9/h2-7H2,1H3,(H2,10,11,13).
What are the key properties of 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one?
9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,3,9-triazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 58984551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).