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

C14H18N2O — CID 117332900

IUPAC1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2c(CC3(N)CC3)cccc21
InChIInChI=1S/C14H18N2O/c1-10(17)16-8-5-12-11(3-2-4-13(12)16)9-14(15)6-7-14/h2-4H,5-9,15H2,1H3
InChIKeyLUEAYFOTIQDYNA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.63
Rot. Bonds2

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

1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 117332900) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID117332900
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2c(CC3(N)CC3)cccc21
InChIInChI=1S/C14H18N2O/c1-10(17)16-8-5-12-11(3-2-4-13(12)16)9-14(15)6-7-14/h2-4H,5-9,15H2,1H3
InChIKeyLUEAYFOTIQDYNA-UHFFFAOYSA-N
XLogP1.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
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
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine
CID 117335130
1-[4-(1-isocyanatocyclobutyl)-2,3-dihydroindol-1-yl]ethanone
CID 117394206
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone (CID 117332900) is 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2c(CC3(N)CC3)cccc21.
What is the InChIKey of 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is LUEAYFOTIQDYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(17)16-8-5-12-11(3-2-4-13(12)16)9-14(15)6-7-14/h2-4H,5-9,15H2,1H3.
What are the key properties of 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone?
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 230.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 117332900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).