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

C18H15NO2 — CID 60815593

IUPAC2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESO=C(c1ccc(C#CCO)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H15NO2/c20-13-3-4-14-7-9-16(10-8-14)18(21)19-12-11-15-5-1-2-6-17(15)19/h1-2,5-10,20H,11-13H2
InChIKeyBPOUUKPSVPQLSO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds1

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

2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone (PubChem CID 60815593) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
PubChem CID60815593
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESO=C(c1ccc(C#CCO)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H15NO2/c20-13-3-4-14-7-9-16(10-8-14)18(21)19-12-11-15-5-1-2-6-17(15)19/h1-2,5-10,20H,11-13H2
InChIKeyBPOUUKPSVPQLSO-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.23
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

[4-(3-aminoprop-1-ynyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 60821445
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone (CID 60815593) is 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone is O=C(c1ccc(C#CCO)cc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The InChIKey is BPOUUKPSVPQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-13-3-4-14-7-9-16(10-8-14)18(21)19-12-11-15-5-1-2-6-17(15)19/h1-2,5-10,20H,11-13H2.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone?
2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone has a molecular weight of 277.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone is sourced from PubChem (CID 60815593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).