(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]

C20H20N2O4 — CID 1100892

IUPAC(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
SMILESCOc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(25-4)12-17(22(23)24)18(13)26-20/h5-12H,1-4H3/t20-/m1/s1
InChIKeyXNKRDFHPVAZCQX-HXUWFJFHSA-N
MW352.39 g/mol
LogP4.13
Rot. Bonds2

About (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]

(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole] (PubChem CID 1100892) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
PubChem CID1100892
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
SMILESCOc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(25-4)12-17(22(23)24)18(13)26-20/h5-12H,1-4H3/t20-/m1/s1
InChIKeyXNKRDFHPVAZCQX-HXUWFJFHSA-N
XLogP4.13
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
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

6-methoxy-1',3',3',6'-tetramethyl-8-nitrospiro[chromene-2,2'-indole]
CID 19083794
6-methoxy-3',3'-dimethyl-8-nitro-1'-octadecylspiro[chromene-2,2'-indole]
CID 11734641
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
N,N-dimethyl-4-[(E)-2-(1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]-6-yl)ethenyl]aniline
CID 16750875
8-(iodomethyl)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 11259752
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
3',3'-diethyl-8-methoxy-1'-methyl-6-nitrospiro[chromene-2,2'-indole]
CID 19083785
8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]
CID 14694039
5',7'-dibromo-6-methoxy-3',3'-dimethyl-8-nitro-1'-octadecylspiro[chromene-2,2'-indole]
CID 11104624
(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 139206872
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole] (CID 1100892) is (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole] is COc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]?
The InChIKey is XNKRDFHPVAZCQX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(25-4)12-17(22(23)24)18(13)26-20/h5-12H,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]?
(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole] has a molecular weight of 352.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 1100892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).