N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide

C15H16N2O5 — CID 11120245

IUPACN-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1[N+](=O)[O-])C(=O)CC1(CCCC1)O2
InChIInChI=1S/C15H16N2O5/c1-9(18)16-10-4-5-12-13(14(10)17(20)21)11(19)8-15(22-12)6-2-3-7-15/h4-5H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyMJCNPJREXMRHMC-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.83
Rot. Bonds2

About N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide

N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide (PubChem CID 11120245) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide
PubChem CID11120245
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1[N+](=O)[O-])C(=O)CC1(CCCC1)O2
InChIInChI=1S/C15H16N2O5/c1-9(18)16-10-4-5-12-13(14(10)17(20)21)11(19)8-15(22-12)6-2-3-7-15/h4-5H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyMJCNPJREXMRHMC-UHFFFAOYSA-N
XLogP2.83
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(5-nitrospiro[chromene-2,1'-cyclohexane]-6-yl)acetamide
CID 11098674
2,2,6-trimethyl-5-nitro-3H-chromen-4-one
CID 70965649
3-acetamido-2-nitrobenzoate
CID 7154741
N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
3-acetamido-2-nitrobenzamide
CID 142159478
N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754
methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
CID 22511287
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
CID 5485377
N-[1'-[(4-nitrophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]acetamide;hydrochloride
CID 19045389
N-(2,2-dimethyl-8-nitrochromen-7-yl)acetamide
CID 139663029
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
7-hydroxy-5-methoxy-8-nitro-4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-carbaldehyde
CID 10640515

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide?
The IUPAC name of N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide (CID 11120245) is N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide.
What is the SMILES notation for N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide?
The canonical SMILES for N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide is CC(=O)Nc1ccc2c(c1[N+](=O)[O-])C(=O)CC1(CCCC1)O2.
What is the InChIKey of N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide?
The InChIKey is MJCNPJREXMRHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9(18)16-10-4-5-12-13(14(10)17(20)21)11(19)8-15(22-12)6-2-3-7-15/h4-5H,2-3,6-8H2,1H3,(H,16,18).
What are the key properties of N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide?
N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide has a molecular weight of 304.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-yl)acetamide is sourced from PubChem (CID 11120245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).