(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one

C15H20N2O — CID 135189876

IUPAC(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one
SMILESCN[C@H](CC(C)=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-11(18)8-13(16-2)9-12-10-17(3)15-7-5-4-6-14(12)15/h4-7,10,13,16H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyHLDORZZNMQZKCV-CYBMUJFWSA-N
MW244.34 g/mol
LogP2.29
Rot. Bonds5

About (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one

(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one (PubChem CID 135189876) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one.

Molecular Properties

Compound Name(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one
PubChem CID135189876
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one
SMILESCN[C@H](CC(C)=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-11(18)8-13(16-2)9-12-10-17(3)15-7-5-4-6-14(12)15/h4-7,10,13,16H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyHLDORZZNMQZKCV-CYBMUJFWSA-N
XLogP2.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one
CID 154573734
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
CID 168915547
N-[1-(1-methylindol-3-yl)propan-2-yl]formamide
CID 166490360
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one?
The IUPAC name of (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one (CID 135189876) is (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one.
What is the SMILES notation for (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one?
The canonical SMILES for (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one is CN[C@H](CC(C)=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one?
The InChIKey is HLDORZZNMQZKCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(18)8-13(16-2)9-12-10-17(3)15-7-5-4-6-14(12)15/h4-7,10,13,16H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one?
(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one is sourced from PubChem (CID 135189876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).