1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone

C15H20N2O — CID 117362996

IUPAC1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2c1cccc2C1(N)CCCC1
InChIInChI=1S/C15H20N2O/c1-11(18)17-10-7-12-13(5-4-6-14(12)17)15(16)8-2-3-9-15/h4-6H,2-3,7-10,16H2,1H3
InChIKeyQEKWPSPJCVSCBJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds1

About 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone

1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 117362996) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID117362996
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2c1cccc2C1(N)CCCC1
InChIInChI=1S/C15H20N2O/c1-11(18)17-10-7-12-13(5-4-6-14(12)17)15(16)8-2-3-9-15/h4-6H,2-3,7-10,16H2,1H3
InChIKeyQEKWPSPJCVSCBJ-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-isocyanatocyclobutyl)-2,3-dihydroindol-1-yl]ethanone
CID 117394206
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine
CID 84793990
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine
CID 117280910
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone (CID 117362996) is 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2c1cccc2C1(N)CCCC1.
What is the InChIKey of 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is QEKWPSPJCVSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(18)17-10-7-12-13(5-4-6-14(12)17)15(16)8-2-3-9-15/h4-6H,2-3,7-10,16H2,1H3.
What are the key properties of 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone?
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 244.34 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 117362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).