1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one

C14H20N2O — CID 82475334

IUPAC1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
SMILESCC(C)NCCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H20N2O/c1-10(2)15-7-6-11-4-5-13-12(8-11)9-14(17)16(13)3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyTZLPTZQEBNGZOW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.75
Rot. Bonds4

About 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one

1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one (PubChem CID 82475334) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
PubChem CID82475334
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
SMILESCC(C)NCCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H20N2O/c1-10(2)15-7-6-11-4-5-13-12(8-11)9-14(17)16(13)3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyTZLPTZQEBNGZOW-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 115206450
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
CID 110788593
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one (CID 82475334) is 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one is CC(C)NCCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
The InChIKey is TZLPTZQEBNGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)15-7-6-11-4-5-13-12(8-11)9-14(17)16(13)3/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one is sourced from PubChem (CID 82475334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).