10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride

C10H17ClN2O — CID 139371527

IUPAC10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
SMILESCN1CC=CCC2(CCCN2)C1=O.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-12-8-3-2-5-10(9(12)13)6-4-7-11-10;/h2-3,11H,4-8H2,1H3;1H
InChIKeyRABAKDGVEWVBTA-UHFFFAOYSA-N
MW216.71 g/mol
LogP0.95
Rot. Bonds

About 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride

10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride (PubChem CID 139371527) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride.

Molecular Properties

Compound Name10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
PubChem CID139371527
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
SMILESCN1CC=CCC2(CCCN2)C1=O.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-12-8-3-2-5-10(9(12)13)6-4-7-11-10;/h2-3,11H,4-8H2,1H3;1H
InChIKeyRABAKDGVEWVBTA-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride 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-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459653
N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
Tert-butyl 3,3-difluoro-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371742
3,3-Difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371875
1-(2,2,2-Trifluoroacetyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371920
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 156837616
(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
CID 132524255
(5S)-10-methyl-1,10-diazaspiro[4.6]undec-8-en-11-one
CID 134842991
(2R)-N,N-dimethyl-2-prop-2-enylpyrrolidine-2-carboxamide
CID 154720748
(1R,2S,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
CID 178326275
(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106975871

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
The IUPAC name of 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride (CID 139371527) is 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride.
What is the SMILES notation for 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
The canonical SMILES for 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride is CN1CC=CCC2(CCCN2)C1=O.Cl.
What is the InChIKey of 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
The InChIKey is RABAKDGVEWVBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c1-12-8-3-2-5-10(9(12)13)6-4-7-11-10;/h2-3,11H,4-8H2,1H3;1H.
What are the key properties of 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride is sourced from PubChem (CID 139371527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).