4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one

C18H12N4O9 — CID 2775587

IUPAC4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one
SMILESO=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCOCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIInChI=1S/C18H12N4O9/c23-17-11-5-9(20(25)26)7-13(18(24)19-1-3-31-4-2-19)15(11)16-12(17)6-10(21(27)28)8-14(16)22(29)30/h5-8H,1-4H2
InChIKeyGNZPQSSEUUBLJK-UHFFFAOYSA-N
MW428.31 g/mol
LogP2.10
Rot. Bonds4

About 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one

4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one (PubChem CID 2775587) has the molecular formula C18H12N4O9 and a molecular weight of 428.31 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one
PubChem CID2775587
Molecular FormulaC18H12N4O9
Molecular Weight428.31 g/mol
Exact Mass428.06
IUPAC Name4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one
SMILESO=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCOCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIInChI=1S/C18H12N4O9/c23-17-11-5-9(20(25)26)7-13(18(24)19-1-3-31-4-2-19)15(11)16-12(17)6-10(21(27)28)8-14(16)22(29)30/h5-8H,1-4H2
InChIKeyGNZPQSSEUUBLJK-UHFFFAOYSA-N
XLogP2.10
TPSA176.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3,5-dinitrophenyl)-morpholin-4-ylmethanone
CID 3642904
2-[4-(morpholine-4-carbonyl)-2,7-dinitrofluoren-9-ylidene]propanedinitrile
CID 4136209
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
N,N-diethyl-2,5,7-trinitro-9-oxofluorene-4-carboxamide
CID 2775574
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
CID 2775590
2,4-dinitro-6-(piperidine-1-carbonyl)phenolate
CID 7038377
1-chloro-4,5,7-trinitro-9-oxofluorene-2-carboxylic acid
CID 57209242
2-morpholin-4-yl-3,5-dinitrobenzoyl chloride
CID 132593438
(4,5,7-trinitro-9-oxofluoren-2-yl) hydrogen carbonate
CID 88625118
(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone
CID 118370997
2,5,7-trinitro-N-octadecyl-9-oxofluorene-4-carboxamide
CID 2775513
(4-formylphenyl) 2,5,7-trinitro-9-oxofluorene-4-carboxylate
CID 101368303

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one?
The IUPAC name of 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one (CID 2775587) is 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one is O=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCOCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].
What is the InChIKey of 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one?
The InChIKey is GNZPQSSEUUBLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O9/c23-17-11-5-9(20(25)26)7-13(18(24)19-1-3-31-4-2-19)15(11)16-12(17)6-10(21(27)28)8-14(16)22(29)30/h5-8H,1-4H2.
What are the key properties of 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one?
4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one has a molecular weight of 428.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one is sourced from PubChem (CID 2775587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).