[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

C18H16N2O — CID 60821445

IUPAC[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESNCC#Cc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H16N2O/c19-12-3-4-14-7-9-16(10-8-14)18(21)20-13-11-15-5-1-2-6-17(15)20/h1-2,5-10H,11-13,19H2
InChIKeyUFCCWCIMPBYLRX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.20
Rot. Bonds1

About [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 60821445) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID60821445
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESNCC#Cc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H16N2O/c19-12-3-4-14-7-9-16(10-8-14)18(21)20-13-11-15-5-1-2-6-17(15)20/h1-2,5-10H,11-13,19H2
InChIKeyUFCCWCIMPBYLRX-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60815593
[5-(3-aminoprop-1-ynyl)-4-methylthiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 79977421
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 60821445) is [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is NCC#Cc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UFCCWCIMPBYLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-3-4-14-7-9-16(10-8-14)18(21)20-13-11-15-5-1-2-6-17(15)20/h1-2,5-10H,11-13,19H2.
What are the key properties of [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 60821445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).