(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]

C19H17BrN2O3 — CID 7360783

IUPAC(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)ccc1O2
InChIInChI=1S/C19H17BrN2O3/c1-18(2)15-11-14(22(23)24)5-6-16(15)21(3)19(18)9-8-12-10-13(20)4-7-17(12)25-19/h4-11H,1-3H3/t19-/m1/s1
InChIKeyOMOQPYVLAIHVOU-LJQANCHMSA-N
MW401.26 g/mol
LogP4.89
Rot. Bonds1

About (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]

(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] (PubChem CID 7360783) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
PubChem CID7360783
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)ccc1O2
InChIInChI=1S/C19H17BrN2O3/c1-18(2)15-11-14(22(23)24)5-6-16(15)21(3)19(18)9-8-12-10-13(20)4-7-17(12)25-19/h4-11H,1-3H3/t19-/m1/s1
InChIKeyOMOQPYVLAIHVOU-LJQANCHMSA-N
XLogP4.89
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 3007719
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-ol
CID 14766372
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
(Z)-3-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)prop-2-enal
CID 177452266
1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione
CID 13008171
2-chloro-N-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)acetamide
CID 11080168
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
5'-chloro-1',3',3'-trimethyl-6-(2-nitroethenyl)spiro[chromene-2,2'-indole]
CID 54000738
(2E,4E,6E,8Z)-3,7-dimethyl-9-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)nona-2,4,6,8-tetraenenitrile
CID 177440165
1'-butyl-5'-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 138621040
7-methoxy-1',3',3',5'-tetramethyl-6-nitrospiro[chromene-2,2'-indole]
CID 19084028
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379

Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] (CID 7360783) is (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] is CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)ccc1O2.
What is the InChIKey of (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
The InChIKey is OMOQPYVLAIHVOU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-18(2)15-11-14(22(23)24)5-6-16(15)21(3)19(18)9-8-12-10-13(20)4-7-17(12)25-19/h4-11H,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] has a molecular weight of 401.26 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 7360783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).