8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C14H19ClN4O2 — CID 77096133

IUPAC8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(Cc3ccc(Cl)o3)CC2)C(=O)N1
InChIInChI=1S/C14H19ClN4O2/c1-18(2)13-16-12(20)14(17-13)5-7-19(8-6-14)9-10-3-4-11(15)21-10/h3-4H,5-9H2,1-2H3,(H,16,17,20)
InChIKeyPLYIIRABKAPCRL-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.32
Rot. Bonds2

About 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 77096133) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID77096133
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(Cc3ccc(Cl)o3)CC2)C(=O)N1
InChIInChI=1S/C14H19ClN4O2/c1-18(2)13-16-12(20)14(17-13)5-7-19(8-6-14)9-10-3-4-11(15)21-10/h3-4H,5-9H2,1-2H3,(H,16,17,20)
InChIKeyPLYIIRABKAPCRL-UHFFFAOYSA-N
XLogP1.32
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-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

2-amino-6-{4-[(5-chloro-2-furyl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one
CID 136288626
7-[(5-Methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680768
8-(5-Chlorofuran-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30176120
2-[4-[[(5-chlorofuran-2-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
CID 56827329
2-[(5-Chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60654234
N-[(5-chlorofuran-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60663482
2-[4-[(5-Chlorofuran-2-yl)methylamino]piperidin-1-yl]acetamide
CID 60781101
N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61241616
5-[(5-Chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one
CID 64655499
3-{4-[(5-Chloro-2-furyl)methyl]piperazin-1-yl}propanamide
CID 77080921
3-{4-[(5-chloro-2-furyl)methyl]piperazin-1-yl}pyrazin-2(1H)-one
CID 77082399
1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912358

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 77096133) is 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(Cc3ccc(Cl)o3)CC2)C(=O)N1.
What is the InChIKey of 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is PLYIIRABKAPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-18(2)13-16-12(20)14(17-13)5-7-19(8-6-14)9-10-3-4-11(15)21-10/h3-4H,5-9H2,1-2H3,(H,16,17,20).
What are the key properties of 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 310.79 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 77096133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).