8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]

C14H15NO2 — CID 162394434

IUPAC8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
SMILESO=[N+]([O-])c1c2c(cc3c1C1(CC3)CC1)CCC2
InChIInChI=1S/C14H15NO2/c16-15(17)13-11-3-1-2-9(11)8-10-4-5-14(6-7-14)12(10)13/h8H,1-7H2
InChIKeyAFYCRVDKURCAKL-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.06
Rot. Bonds1

About 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]

8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] (PubChem CID 162394434) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane].

Molecular Properties

Compound Name8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
PubChem CID162394434
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
SMILESO=[N+]([O-])c1c2c(cc3c1C1(CC3)CC1)CCC2
InChIInChI=1S/C14H15NO2/c16-15(17)13-11-3-1-2-9(11)8-10-4-5-14(6-7-14)12(10)13/h8H,1-7H2
InChIKeyAFYCRVDKURCAKL-UHFFFAOYSA-N
XLogP3.06
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] with MolForge

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Related Compounds

8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
CID 156809087
5-bromo-4,6-dinitro-2,3-dihydro-1H-indene
CID 12887052
(4-nitro-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methanol
CID 162394396
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 12835978
2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
CID 175837060
8-nitro-3,5,6,7-tetrahydro-2H-s-indacen-1-one;3,5,6,7-tetrahydro-2H-s-indacen-1-one
CID 167700883
N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
CID 146380434
3-nitrospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]
CID 59218410
4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
CID 88999492
4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 140896345
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-nitrophenyl)sulfonylurea
CID 122480628
N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754

Frequently Asked Questions

What is the IUPAC name of 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
The IUPAC name of 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] (CID 162394434) is 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane].
What is the SMILES notation for 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
The canonical SMILES for 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] is O=[N+]([O-])c1c2c(cc3c1C1(CC3)CC1)CCC2.
What is the InChIKey of 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
The InChIKey is AFYCRVDKURCAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-15(17)13-11-3-1-2-9(11)8-10-4-5-14(6-7-14)12(10)13/h8H,1-7H2.
What are the key properties of 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] has a molecular weight of 229.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] is sourced from PubChem (CID 162394434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).