5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]

C19H17ClN2O3 — CID 3007721

IUPAC5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C19H17ClN2O3/c1-18(2)15-11-13(20)4-6-16(15)21(3)19(18)9-8-12-10-14(22(23)24)5-7-17(12)25-19/h4-11H,1-3H3
InChIKeyTWTUNSPZNQWUEJ-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.78
Rot. Bonds1

About 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]

5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] (PubChem CID 3007721) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
PubChem CID3007721
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C19H17ClN2O3/c1-18(2)15-11-13(20)4-6-16(15)21(3)19(18)9-8-12-10-14(22(23)24)5-7-17(12)25-19/h4-11H,1-3H3
InChIKeyTWTUNSPZNQWUEJ-UHFFFAOYSA-N
XLogP4.78
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] (CID 3007721) is 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] is CN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2.
What is the InChIKey of 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
The InChIKey is TWTUNSPZNQWUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-18(2)15-11-13(20)4-6-16(15)21(3)19(18)9-8-12-10-14(22(23)24)5-7-17(12)25-19/h4-11H,1-3H3.
What are the key properties of 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]?
5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] has a molecular weight of 356.81 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 3007721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).