8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]

C22H24N2O4 — CID 14694039

IUPAC8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]
SMILESCOc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C(C)C)c2ccccc2C1(C)C
InChIInChI=1S/C22H24N2O4/c1-14(2)23-18-9-7-6-8-17(18)21(3,4)22(23)11-10-15-12-16(24(25)26)13-19(27-5)20(15)28-22/h6-14H,1-5H3
InChIKeyBWFPHWHEUKNIIW-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.91
Rot. Bonds3

About 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]

8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole] (PubChem CID 14694039) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]
PubChem CID14694039
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]
SMILESCOc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C(C)C)c2ccccc2C1(C)C
InChIInChI=1S/C22H24N2O4/c1-14(2)23-18-9-7-6-8-17(18)21(3,4)22(23)11-10-15-12-16(24(25)26)13-19(27-5)20(15)28-22/h6-14H,1-5H3
InChIKeyBWFPHWHEUKNIIW-UHFFFAOYSA-N
XLogP4.91
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.91
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

1'-(3-iodopropyl)-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 46209963
3',3'-diethyl-8-methoxy-1'-methyl-6-nitrospiro[chromene-2,2'-indole]
CID 19083785
8-methoxy-3',3'-dimethyl-6-nitro-1'-(3-phenylprop-2-enyl)spiro[chromene-2,2'-indole]
CID 72537120
1'-[(2,4-difluorophenyl)methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 59184961
methyl 4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]benzoate
CID 59184974
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
8-(iodomethyl)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 11259752
(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
CID 1100892
1'-[[3,5-bis[(3',3'-dimethyl-8-methylsulfanyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethyl-8-methylsulfanyl-6-nitrospiro[chromene-2,2'-indole]
CID 89044565
4-O-[4-[2-[4-[4-[2-(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)ethoxy]-4-oxobutanoyl]oxyphenyl]propan-2-yl]phenyl] 1-O-[2-(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)ethyl] butanedioate
CID 88954358
8'-methoxy-1,1,3-trimethyl-6'-nitrospiro[[1]benzothiolo[2,3-e]indole-2,2'-chromene]
CID 3527583
ethyl 2-(8'-methoxy-3,3-dimethyl-6'-nitrospiro[benzo[g]indole-2,2'-chromene]-1-yl)acetate
CID 58298835

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]?
The IUPAC name of 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole] (CID 14694039) is 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole].
What is the SMILES notation for 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]?
The canonical SMILES for 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole] is COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C(C)C)c2ccccc2C1(C)C.
What is the InChIKey of 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]?
The InChIKey is BWFPHWHEUKNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)23-18-9-7-6-8-17(18)21(3,4)22(23)11-10-15-12-16(24(25)26)13-19(27-5)20(15)28-22/h6-14H,1-5H3.
What are the key properties of 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole]?
8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole] has a molecular weight of 380.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3',3'-dimethyl-6-nitro-1'-propan-2-ylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 14694039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).