9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate

C17H13N3O3 — CID 137240740

IUPAC9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate
SMILES[N-]=[N+]=C(N)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H13N3O3/c18-16(20-19)15(21)17(22)23-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9,18H2
InChIKeyLOFQMOILLYMRIL-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.50
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate

9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate (PubChem CID 137240740) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate
PubChem CID137240740
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate
SMILES[N-]=[N+]=C(N)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H13N3O3/c18-16(20-19)15(21)17(22)23-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9,18H2
InChIKeyLOFQMOILLYMRIL-UHFFFAOYSA-N
XLogP1.50
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
CID 23573686
CID 23573686
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate (CID 137240740) is 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate is [N-]=[N+]=C(N)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate?
The InChIKey is LOFQMOILLYMRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-16(20-19)15(21)17(22)23-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9,18H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate?
9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate has a molecular weight of 307.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-amino-3-diazo-2-oxopropanoate is sourced from PubChem (CID 137240740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).