5-amino-2-methyl-2,3-dihydroindole-1-carboxamide

C10H13N3O — CID 43551503

IUPAC5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2cc(N)ccc2N1C(N)=O
InChIInChI=1S/C10H13N3O/c1-6-4-7-5-8(11)2-3-9(7)13(6)10(12)14/h2-3,5-6H,4,11H2,1H3,(H2,12,14)
InChIKeyVVTNHPZMJVNRJE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.10
Rot. Bonds

About 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide

5-amino-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 43551503) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID43551503
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2cc(N)ccc2N1C(N)=O
InChIInChI=1S/C10H13N3O/c1-6-4-7-5-8(11)2-3-9(7)13(6)10(12)14/h2-3,5-6H,4,11H2,1H3,(H2,12,14)
InChIKeyVVTNHPZMJVNRJE-UHFFFAOYSA-N
XLogP1.10
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79751060
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone
CID 43550125
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115298349

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide (CID 43551503) is 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2cc(N)ccc2N1C(N)=O.
What is the InChIKey of 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is VVTNHPZMJVNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-4-7-5-8(11)2-3-9(7)13(6)10(12)14/h2-3,5-6H,4,11H2,1H3,(H2,12,14).
What are the key properties of 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide?
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 43551503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).