1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid

C14H15NO3 — CID 117364823

IUPAC1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
SMILESCC(=O)N1CCc2ccc(C3(C(=O)O)CC3)cc21
InChIInChI=1S/C14H15NO3/c1-9(16)15-7-4-10-2-3-11(8-12(10)15)14(5-6-14)13(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyRBLWMDOWNWGFHI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds2

About 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid

1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid (PubChem CID 117364823) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
PubChem CID117364823
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
SMILESCC(=O)N1CCc2ccc(C3(C(=O)O)CC3)cc21
InChIInChI=1S/C14H15NO3/c1-9(16)15-7-4-10-2-3-11(8-12(10)15)14(5-6-14)13(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyRBLWMDOWNWGFHI-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate
CID 135262906
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
CID 132598085
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
CID 117401868
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279
1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid (CID 117364823) is 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid is CC(=O)N1CCc2ccc(C3(C(=O)O)CC3)cc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RBLWMDOWNWGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(16)15-7-4-10-2-3-11(8-12(10)15)14(5-6-14)13(17)18/h2-3,8H,4-7H2,1H3,(H,17,18).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid?
1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117364823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).