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

C19H17BrN2O3 — CID 6999379

IUPAC(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2
InChIInChI=1S/C19H17BrN2O3/c1-18(2)14-6-4-5-7-16(14)21(3)19(18)9-8-12-10-13(22(23)24)11-15(20)17(12)25-19/h4-11H,1-3H3/t19-/m0/s1
InChIKeyFEGDELCCKFUKOX-IBGZPJMESA-N
MW401.26 g/mol
LogP4.89
Rot. Bonds1

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

(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] (PubChem CID 6999379) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
PubChem CID6999379
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2
InChIInChI=1S/C19H17BrN2O3/c1-18(2)14-6-4-5-7-16(14)21(3)19(18)9-8-12-10-13(22(23)24)11-15(20)17(12)25-19/h4-11H,1-3H3/t19-/m0/s1
InChIKeyFEGDELCCKFUKOX-IBGZPJMESA-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'}

Analyze (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(iodomethyl)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 11259752
(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
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
CID 1100892
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
[(2R)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl]methyl 2-methylprop-2-enoate
CID 7327401
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
2-(8-bromo-3',3'-dimethyl-5',6-dinitrospiro[chromene-2,2'-indole]-1'-yl)ethanol
CID 3104860
1'-(3-iodopropyl)-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 46209963
N,N-dimethyl-4-[(E)-2-(1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]-6-yl)ethenyl]aniline
CID 16750875

Frequently Asked Questions

What is the IUPAC name of (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] (CID 6999379) is (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2.
What is the InChIKey of (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
The InChIKey is FEGDELCCKFUKOX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-18(2)14-6-4-5-7-16(14)21(3)19(18)9-8-12-10-13(22(23)24)11-15(20)17(12)25-19/h4-11H,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
(2S)-8-bromo-1',3',3'-trimethyl-6-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 (2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 6999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).