1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one

C10H16N4O — CID 138388942

IUPAC1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C12CCN(C)C2
InChIInChI=1S/C10H16N4O/c1-13-5-4-10(6-13)8(11)12-9(15)14(10)7-2-3-7/h7H,2-6H2,1H3,(H2,11,12,15)
InChIKeyYDLBBKBDTUMNBK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.23
Rot. Bonds1

About 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one

1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 138388942) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one
PubChem CID138388942
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C12CCN(C)C2
InChIInChI=1S/C10H16N4O/c1-13-5-4-10(6-13)8(11)12-9(15)14(10)7-2-3-7/h7H,2-6H2,1H3,(H2,11,12,15)
InChIKeyYDLBBKBDTUMNBK-UHFFFAOYSA-N
XLogP0.23
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-4-imino-8-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
CID 138389214
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388239
1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388563
4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 138389607
7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 138390718
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391051
4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391273
4'-imino-1'-(2-methoxyethyl)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2'-one
CID 138390461
1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one
CID 138388835
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
4-imino-1,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388436

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one (CID 138388942) is 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one is [H]/N=C1\NC(=O)N(C2CC2)C12CCN(C)C2.
What is the InChIKey of 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one?
The InChIKey is YDLBBKBDTUMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-5-4-10(6-13)8(11)12-9(15)14(10)7-2-3-7/h7H,2-6H2,1H3,(H2,11,12,15).
What are the key properties of 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one?
1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138388942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).