8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione

C17H29N3O3 — CID 155460980

IUPAC8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione
SMILESCN1CC(=O)OC2(CCCCCCCCCC(=O)/N=C/1N)CC2
InChIInChI=1S/C17H29N3O3/c1-20-13-15(22)23-17(11-12-17)10-8-6-4-2-3-5-7-9-14(21)19-16(20)18/h2-13H2,1H3,(H2,18,19,21)
InChIKeyLVJRFFGLDCEDMB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.36
Rot. Bonds

About 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione

8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione (PubChem CID 155460980) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione.

Molecular Properties

Compound Name8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione
PubChem CID155460980
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione
SMILESCN1CC(=O)OC2(CCCCCCCCCC(=O)/N=C/1N)CC2
InChIInChI=1S/C17H29N3O3/c1-20-13-15(22)23-17(11-12-17)10-8-6-4-2-3-5-7-9-14(21)19-16(20)18/h2-13H2,1H3,(H2,18,19,21)
InChIKeyLVJRFFGLDCEDMB-UHFFFAOYSA-N
XLogP2.36
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione
CID 158379829
10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 155759890
10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 147085463
5-imino-16,16-dimethyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadecane-2,7-dione
CID 155163387
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
2-amino-3-methyl-4H-imidazol-5-one;benzoic acid
CID 10192729
9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one
CID 103439796
1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
2-methyl-2-azaspiro[4.5]decane-1,6-dione
CID 121207625
16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
CID 78023283
3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 167118563
5-imino-4-methyl-1-oxa-4,6-diazacyclotridecane-2,7-dione
CID 142602224

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione?
The IUPAC name of 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione (CID 155460980) is 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione.
What is the SMILES notation for 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione?
The canonical SMILES for 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione is CN1CC(=O)OC2(CCCCCCCCCC(=O)/N=C/1N)CC2.
What is the InChIKey of 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione?
The InChIKey is LVJRFFGLDCEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-20-13-15(22)23-17(11-12-17)10-8-6-4-2-3-5-7-9-14(21)19-16(20)18/h2-13H2,1H3,(H2,18,19,21).
What are the key properties of 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione?
8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione has a molecular weight of 323.44 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione is sourced from PubChem (CID 155460980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).