1,3,3-trimethyl-2-(nitrosomethylidene)indole

C12H14N2O — CID 4625557

IUPAC1,3,3-trimethyl-2-(nitrosomethylidene)indole
SMILESCN1C(=CN=O)C(C)(C)c2ccccc21
InChIInChI=1S/C12H14N2O/c1-12(2)9-6-4-5-7-10(9)14(3)11(12)8-13-15/h4-8H,1-3H3
InChIKeyBQVKFYICIQFBGO-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.02
Rot. Bonds1

About 1,3,3-trimethyl-2-(nitrosomethylidene)indole

1,3,3-trimethyl-2-(nitrosomethylidene)indole (PubChem CID 4625557) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(nitrosomethylidene)indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(nitrosomethylidene)indole
PubChem CID4625557
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,3,3-trimethyl-2-(nitrosomethylidene)indole
SMILESCN1C(=CN=O)C(C)(C)c2ccccc21
InChIInChI=1S/C12H14N2O/c1-12(2)9-6-4-5-7-10(9)14(3)11(12)8-13-15/h4-8H,1-3H3
InChIKeyBQVKFYICIQFBGO-UHFFFAOYSA-N
XLogP3.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
10-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101250838
10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101199233
9,9,10-trimethylacridine
CID 610451
(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride
CID 154734947
2,3,5-trifluoro-6-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclohexa-2,5-diene-1,4-dione
CID 59962825
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
1,2-diphenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazolidine-3,5-dione
CID 58473494
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580
(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
CID 3034442
4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
CID 2318317
(2-phenoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
CID 59248268

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(nitrosomethylidene)indole?
The IUPAC name of 1,3,3-trimethyl-2-(nitrosomethylidene)indole (CID 4625557) is 1,3,3-trimethyl-2-(nitrosomethylidene)indole.
What is the SMILES notation for 1,3,3-trimethyl-2-(nitrosomethylidene)indole?
The canonical SMILES for 1,3,3-trimethyl-2-(nitrosomethylidene)indole is CN1C(=CN=O)C(C)(C)c2ccccc21.
What is the InChIKey of 1,3,3-trimethyl-2-(nitrosomethylidene)indole?
The InChIKey is BQVKFYICIQFBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2)9-6-4-5-7-10(9)14(3)11(12)8-13-15/h4-8H,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-(nitrosomethylidene)indole?
1,3,3-trimethyl-2-(nitrosomethylidene)indole has a molecular weight of 202.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(nitrosomethylidene)indole is sourced from PubChem (CID 4625557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).