2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one

C12H20N4O — CID 114239234

IUPAC2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one
SMILESCCN1C(N)=NCC12CC(=O)N1CCCCC12
InChIInChI=1S/C12H20N4O/c1-2-16-11(13)14-8-12(16)7-10(17)15-6-4-3-5-9(12)15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeyBBVYYCXXNMEFJJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.16
Rot. Bonds1

About 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one

2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one (PubChem CID 114239234) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one.

Molecular Properties

Compound Name2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one
PubChem CID114239234
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one
SMILESCCN1C(N)=NCC12CC(=O)N1CCCCC12
InChIInChI=1S/C12H20N4O/c1-2-16-11(13)14-8-12(16)7-10(17)15-6-4-3-5-9(12)15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeyBBVYYCXXNMEFJJ-UHFFFAOYSA-N
XLogP0.16
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one with MolForge

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Related Compounds

1-ethyl-9-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79509728
1-ethyl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874943
5-cyclohexyl-1-ethyl-5-methyl-4H-imidazol-2-amine
CID 79510492
1-ethyl-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 106664505
1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one
CID 114239109
6-methoxy-1-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874945
6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497842
(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
CID 125489087
1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide
CID 130490614
1-ethyl-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509613
1-[2-(diethylamino)ethyl]-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514390
3-oxo-1-(2,2,2-trifluoroethylamino)-2,5,6,7,8,8a-hexahydroindolizine-1-carbonitrile
CID 114239004

Frequently Asked Questions

What is the IUPAC name of 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one?
The IUPAC name of 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one (CID 114239234) is 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one.
What is the SMILES notation for 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one?
The canonical SMILES for 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one is CCN1C(N)=NCC12CC(=O)N1CCCCC12.
What is the InChIKey of 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one?
The InChIKey is BBVYYCXXNMEFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-11(13)14-8-12(16)7-10(17)15-6-4-3-5-9(12)15/h9H,2-8H2,1H3,(H2,13,14).
What are the key properties of 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one?
2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-1'-ethylspiro[2,5,6,7,8,8a-hexahydroindolizine-1,5'-4H-imidazole]-3-one is sourced from PubChem (CID 114239234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).