N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride

C11H15ClN4O — CID 146027457

IUPACN-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
SMILESCN1c2ccccc2CC1C(=O)N=C(N)N.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-15-8-5-3-2-4-7(8)6-9(15)10(16)14-11(12)13;/h2-5,9H,6H2,1H3,(H4,12,13,14,16);1H
InChIKeyFZAVIAIEUFMVBS-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.27
Rot. Bonds1

About N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride

N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride (PubChem CID 146027457) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
PubChem CID146027457
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
SMILESCN1c2ccccc2CC1C(=O)N=C(N)N.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-15-8-5-3-2-4-7(8)6-9(15)10(16)14-11(12)13;/h2-5,9H,6H2,1H3,(H4,12,13,14,16);1H
InChIKeyFZAVIAIEUFMVBS-UHFFFAOYSA-N
XLogP0.27
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 154794007
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride (CID 146027457) is N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride is CN1c2ccccc2CC1C(=O)N=C(N)N.Cl.
What is the InChIKey of N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
The InChIKey is FZAVIAIEUFMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.ClH/c1-15-8-5-3-2-4-7(8)6-9(15)10(16)14-11(12)13;/h2-5,9H,6H2,1H3,(H4,12,13,14,16);1H.
What are the key properties of N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride is sourced from PubChem (CID 146027457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).