N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide

C15H19N3O2 — CID 115452391

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3(CN)CC3)ccc21
InChIInChI=1S/C15H19N3O2/c1-10(19)18-7-4-11-8-12(2-3-13(11)18)17-14(20)15(9-16)5-6-15/h2-3,8H,4-7,9,16H2,1H3,(H,17,20)
InChIKeyRVQXDDCSSRHCRW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide (PubChem CID 115452391) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
PubChem CID115452391
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3(CN)CC3)ccc21
InChIInChI=1S/C15H19N3O2/c1-10(19)18-7-4-11-8-12(2-3-13(11)18)17-14(20)15(9-16)5-6-15/h2-3,8H,4-7,9,16H2,1H3,(H,17,20)
InChIKeyRVQXDDCSSRHCRW-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
CID 119271757
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
CID 46948542
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide
CID 119312870
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide (CID 115452391) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3(CN)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The InChIKey is RVQXDDCSSRHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(19)18-7-4-11-8-12(2-3-13(11)18)17-14(20)15(9-16)5-6-15/h2-3,8H,4-7,9,16H2,1H3,(H,17,20).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).