3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one

C15H20N2O — CID 114994368

IUPAC3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)C(N)C(=O)N2CC1CCCC1
InChIInChI=1S/C15H20N2O/c1-10-6-7-13-12(8-10)14(16)15(18)17(13)9-11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyLURNBCJAJANKBE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.53
Rot. Bonds2

About 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one

3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one (PubChem CID 114994368) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
PubChem CID114994368
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)C(N)C(=O)N2CC1CCCC1
InChIInChI=1S/C15H20N2O/c1-10-6-7-13-12(8-10)14(16)15(18)17(13)9-11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyLURNBCJAJANKBE-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile
CID 102571215
(3R)-3-amino-1-(cyclopropylmethyl)-5-nitro-3H-indol-2-one
CID 51601065
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254791
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43254834
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-1-[(E)-2-ethenylbut-2-enyl]-5-methyl-3H-indol-2-one
CID 76853938
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
CID 43254818
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one (CID 114994368) is 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one is Cc1ccc2c(c1)C(N)C(=O)N2CC1CCCC1.
What is the InChIKey of 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one?
The InChIKey is LURNBCJAJANKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-6-7-13-12(8-10)14(16)15(18)17(13)9-11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3.
What are the key properties of 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one?
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one is sourced from PubChem (CID 114994368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).