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

C19H18N2O3 — CID 3007719

IUPAC1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccc([N+](=O)[O-])cc2C(C)(C)C12C=Cc1ccccc1O2
InChIInChI=1S/C19H18N2O3/c1-18(2)15-12-14(21(22)23)8-9-16(15)20(3)19(18)11-10-13-6-4-5-7-17(13)24-19/h4-12H,1-3H3
InChIKeyKNCFWPDSRLTSMZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.12
Rot. Bonds1

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

1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] (PubChem CID 3007719) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
PubChem CID3007719
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
SMILESCN1c2ccc([N+](=O)[O-])cc2C(C)(C)C12C=Cc1ccccc1O2
InChIInChI=1S/C19H18N2O3/c1-18(2)15-12-14(21(22)23)8-9-16(15)20(3)19(18)11-10-13-6-4-5-7-17(13)24-19/h4-12H,1-3H3
InChIKeyKNCFWPDSRLTSMZ-UHFFFAOYSA-N
XLogP4.12
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.12
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 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] (CID 3007719) is 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] is CN1c2ccc([N+](=O)[O-])cc2C(C)(C)C12C=Cc1ccccc1O2.
What is the InChIKey of 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
The InChIKey is KNCFWPDSRLTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-18(2)15-12-14(21(22)23)8-9-16(15)20(3)19(18)11-10-13-6-4-5-7-17(13)24-19/h4-12H,1-3H3.
What are the key properties of 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]?
1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] has a molecular weight of 322.36 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 3007719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).