1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one

C17H24N2O2 — CID 82340988

IUPAC1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2cc(C(=O)CCCN)ccc21
InChIInChI=1S/C17H24N2O2/c1-12(2)10-17(21)19-9-7-13-11-14(5-6-15(13)19)16(20)4-3-8-18/h5-6,11-12H,3-4,7-10,18H2,1-2H3
InChIKeySMBLNVGFLXNOEQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.54
Rot. Bonds6

About 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one

1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one (PubChem CID 82340988) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
PubChem CID82340988
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2cc(C(=O)CCCN)ccc21
InChIInChI=1S/C17H24N2O2/c1-12(2)10-17(21)19-9-7-13-11-14(5-6-15(13)19)16(20)4-3-8-18/h5-6,11-12H,3-4,7-10,18H2,1-2H3
InChIKeySMBLNVGFLXNOEQ-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
1-[5-(2-bromoacetyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82258608
1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 82341227
1-[5-(4-amino-1-hydroxybutyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340987
2-bromo-3-methyl-1-[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258869
1-[6-[3-(3,4-dichlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 159263251
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259825
3-methyl-1-[6-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 158471826
1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259881
2-bromo-3-methyl-1-(1-pentanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82258864

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one (CID 82340988) is 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCc2cc(C(=O)CCCN)ccc21.
What is the InChIKey of 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The InChIKey is SMBLNVGFLXNOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)10-17(21)19-9-7-13-11-14(5-6-15(13)19)16(20)4-3-8-18/h5-6,11-12H,3-4,7-10,18H2,1-2H3.
What are the key properties of 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 82340988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).