7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione

C13H20N4O4 — CID 142041929

IUPAC7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
SMILESC=C1CNC(=O)CN(O)C(=O)CNC(=O)C2CCCCN12
InChIInChI=1S/C13H20N4O4/c1-9-6-14-11(18)8-17(21)12(19)7-15-13(20)10-4-2-3-5-16(9)10/h10,21H,1-8H2,(H,14,18)(H,15,20)
InChIKeyPILBJVSXVKNURU-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.18
Rot. Bonds

About 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione

7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione (PubChem CID 142041929) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione.

Molecular Properties

Compound Name7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
PubChem CID142041929
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
SMILESC=C1CNC(=O)CN(O)C(=O)CNC(=O)C2CCCCN12
InChIInChI=1S/C13H20N4O4/c1-9-6-14-11(18)8-17(21)12(19)7-15-13(20)10-4-2-3-5-16(9)10/h10,21H,1-8H2,(H,14,18)(H,15,20)
InChIKeyPILBJVSXVKNURU-UHFFFAOYSA-N
XLogP-1.18
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
CID 59900096
1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]-4-methyl-5-methylidenepiperazin-2-one
CID 68205326
3,6-Bis(4-aminobutyl)-5-methylidenepiperazin-2-one
CID 70648297
butane;N-methoxy-N-methylacetamide;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione;octan-3-one
CID 142041854
ethane;(9S)-9-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione;propane
CID 142041945
Butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041985
1-(3-Aminoprop-1-en-2-yl)piperidine-2-carboxamide
CID 144787341
(2R)-1-hydroxy-N-prop-2-enylpiperidine-2-carboxamide
CID 16071464
2-Methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041830
N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide
CID 142041874
2-(Oxomethylidene)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041894
(9S)-9-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041946

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The IUPAC name of 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione (CID 142041929) is 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione.
What is the SMILES notation for 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The canonical SMILES for 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione is C=C1CNC(=O)CN(O)C(=O)CNC(=O)C2CCCCN12.
What is the InChIKey of 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The InChIKey is PILBJVSXVKNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9-6-14-11(18)8-17(21)12(19)7-15-13(20)10-4-2-3-5-16(9)10/h10,21H,1-8H2,(H,14,18)(H,15,20).
What are the key properties of 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione has a molecular weight of 296.33 g/mol, XLogP of -1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione is sourced from PubChem (CID 142041929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).