3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]

C18H14N2O3 — CID 141087850

IUPAC3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCC1=c2c(C)cccc2=NC12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C18H14N2O3/c1-11-4-3-5-15-17(11)12(2)18(19-15)9-8-13-10-14(20(21)22)6-7-16(13)23-18/h3-10H,1-2H3
InChIKeyQPAXKZWZQDIRLV-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.51
Rot. Bonds1

About 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]

3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole] (PubChem CID 141087850) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
PubChem CID141087850
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCC1=c2c(C)cccc2=NC12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C18H14N2O3/c1-11-4-3-5-15-17(11)12(2)18(19-15)9-8-13-10-14(20(21)22)6-7-16(13)23-18/h3-10H,1-2H3
InChIKeyQPAXKZWZQDIRLV-UHFFFAOYSA-N
XLogP2.51
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.51
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 3',4'-dimethyl-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

3',3',7'-trimethyl-6-nitro-1'-octadecylspiro[chromene-2,2'-indole]
CID 70396532
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
1-(6-nitro-2-propan-2-ylchromen-2-yl)pyrrolidine
CID 67873966
3,5-dimethyl-6'-nitrospiro[1,3-benzoselenazole-2,2'-chromene]
CID 14716574
3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]
CID 19068568
1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]
CID 168865436
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-ol
CID 14766372
3',3'-dimethyl-6-nitro-1'-prop-2-ynylspiro[chromene-2,2'-indole]
CID 102433038
(Z)-3-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)prop-2-enal
CID 177452266
ethyl 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetate
CID 58298819
1-iodo-2,2-dimethyl-6-nitroquinoline
CID 174515968
3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)-N-[11-[11-[3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoylamino]undecyldisulfanyl]undecyl]propanamide
CID 24810727

Frequently Asked Questions

What is the IUPAC name of 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole] (CID 141087850) is 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole] is CC1=c2c(C)cccc2=NC12C=Cc1cc([N+](=O)[O-])ccc1O2.
What is the InChIKey of 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
The InChIKey is QPAXKZWZQDIRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-4-3-5-15-17(11)12(2)18(19-15)9-8-13-10-14(20(21)22)6-7-16(13)23-18/h3-10H,1-2H3.
What are the key properties of 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole] has a molecular weight of 306.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 141087850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).