2-hydroxyheptanedioyl diazide

C7H10N6O3 — CID 142790693

IUPAC2-hydroxyheptanedioyl diazide
SMILES[N-]=[N+]=NC(=O)CCCCC(O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C7H10N6O3/c8-12-10-6(15)4-2-1-3-5(14)7(16)11-13-9/h5,14H,1-4H2
InChIKeySTMWDIWCVGSIMA-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.58
Rot. Bonds6

About 2-hydroxyheptanedioyl diazide

2-hydroxyheptanedioyl diazide (PubChem CID 142790693) has the molecular formula C7H10N6O3 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-hydroxyheptanedioyl diazide.

Molecular Properties

Compound Name2-hydroxyheptanedioyl diazide
PubChem CID142790693
Molecular FormulaC7H10N6O3
Molecular Weight226.20 g/mol
Exact Mass226.08
IUPAC Name2-hydroxyheptanedioyl diazide
SMILES[N-]=[N+]=NC(=O)CCCCC(O)C(=O)N=[N+]=[N-]
InChIInChI=1S/C7H10N6O3/c8-12-10-6(15)4-2-1-3-5(14)7(16)11-13-9/h5,14H,1-4H2
InChIKeySTMWDIWCVGSIMA-UHFFFAOYSA-N
XLogP1.58
TPSA151.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-oxopentanedioyl diazide
CID 142765707
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide
CID 169205481
2-[[4-[(2-azido-2-oxoethyl)amino]-2,3-dihydroxy-4-oxobutanoyl]amino]acetyl azide
CID 18795336
5-azido-1,1-dihydroxypentan-2-one
CID 151328078
2-hydroxyheptanedioic acid
CID 160889869
9-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoyl azide
CID 100916232
(Z)-2-aminooctadec-9-enoyl azide
CID 155784105
2-hydroxynonanedioic acid
CID 12760708
15-(azidomethyl)triacontanedioic acid
CID 172687977
6-azidodecanamide
CID 175969614
6-azido-7-iodoheptanoic acid
CID 91483379
acetylene;5-azido-4-methoxy-5-oxopentanoic acid;benzene
CID 142892641

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyheptanedioyl diazide?
The IUPAC name of 2-hydroxyheptanedioyl diazide (CID 142790693) is 2-hydroxyheptanedioyl diazide.
What is the SMILES notation for 2-hydroxyheptanedioyl diazide?
The canonical SMILES for 2-hydroxyheptanedioyl diazide is [N-]=[N+]=NC(=O)CCCCC(O)C(=O)N=[N+]=[N-].
What is the InChIKey of 2-hydroxyheptanedioyl diazide?
The InChIKey is STMWDIWCVGSIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O3/c8-12-10-6(15)4-2-1-3-5(14)7(16)11-13-9/h5,14H,1-4H2.
What are the key properties of 2-hydroxyheptanedioyl diazide?
2-hydroxyheptanedioyl diazide has a molecular weight of 226.20 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyheptanedioyl diazide is sourced from PubChem (CID 142790693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).