methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide

C13H17N3O3 — CID 145476787

IUPACmethyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide
SMILESCON=O.Cc1ccc2c(C(=O)N(C)C)c[nH]c2c1
InChIInChI=1S/C12H14N2O.CH3NO2/c1-8-4-5-9-10(12(15)14(2)3)7-13-11(9)6-8;1-4-2-3/h4-7,13H,1-3H3;1H3
InChIKeySQZQPQPFXNXATN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.49
Rot. Bonds2

About methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide

methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide (PubChem CID 145476787) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Namemethyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide
PubChem CID145476787
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide
SMILESCON=O.Cc1ccc2c(C(=O)N(C)C)c[nH]c2c1
InChIInChI=1S/C12H14N2O.CH3NO2/c1-8-4-5-9-10(12(15)14(2)3)7-13-11(9)6-8;1-4-2-3/h4-7,13H,1-3H3;1H3
InChIKeySQZQPQPFXNXATN-UHFFFAOYSA-N
XLogP2.49
TPSA74.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 82787189
3-but-1-en-2-yl-6-methyl-1H-indole
CID 167211722

Frequently Asked Questions

What is the IUPAC name of methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide?
The IUPAC name of methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide (CID 145476787) is methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide?
The canonical SMILES for methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide is CON=O.Cc1ccc2c(C(=O)N(C)C)c[nH]c2c1.
What is the InChIKey of methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide?
The InChIKey is SQZQPQPFXNXATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.CH3NO2/c1-8-4-5-9-10(12(15)14(2)3)7-13-11(9)6-8;1-4-2-3/h4-7,13H,1-3H3;1H3.
What are the key properties of methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide?
methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 145476787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).