6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C11H12N2O2 — CID 155644504

IUPAC6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESO=[N+]([O-])c1ccc2c(c1)C1(CC1)CNC2
InChIInChI=1S/C11H12N2O2/c14-13(15)9-2-1-8-6-12-7-11(3-4-11)10(8)5-9/h1-2,5,12H,3-4,6-7H2
InChIKeyYXCVJLPQDIBXFL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.73
Rot. Bonds1

About 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 155644504) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID155644504
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESO=[N+]([O-])c1ccc2c(c1)C1(CC1)CNC2
InChIInChI=1S/C11H12N2O2/c14-13(15)9-2-1-8-6-12-7-11(3-4-11)10(8)5-9/h1-2,5,12H,3-4,6-7H2
InChIKeyYXCVJLPQDIBXFL-UHFFFAOYSA-N
XLogP1.73
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-nitrospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]
CID 59218410
1-methoxy-7-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 175954569
7-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 91017574
8-bromo-1-methyl-4-nitrotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 86182345
5-(3-nitrophenyl)-2,3-dihydro-1H-isoindole
CID 135218133
5-nitrospiro[1,2-dihydroindole-3,3'-oxolane]
CID 106701917
8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 4093214
1,1-dimethyl-8-nitro-4,5-dihydro-2H-2-benzazepin-3-one
CID 67264026
bis[2-(1-methylcyclopropyl)-4-nitrophenyl] carbonate
CID 141323190
1,8-diiodo-4-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene
CID 15205272
6-nitrospiro[3,4-dihydroisoquinoline-1,1'-cyclopropane]-2-carboxylic acid
CID 122553271
1-methyl-6-nitro-2,3-dihydroindazole
CID 67278398

Frequently Asked Questions

What is the IUPAC name of 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 155644504) is 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is O=[N+]([O-])c1ccc2c(c1)C1(CC1)CNC2.
What is the InChIKey of 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is YXCVJLPQDIBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-13(15)9-2-1-8-6-12-7-11(3-4-11)10(8)5-9/h1-2,5,12H,3-4,6-7H2.
What are the key properties of 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 204.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 155644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).