(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one

C19H19NO — CID 101252968

IUPAC(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
SMILESC[C@H](CC(=O)c1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H19NO/c1-14(12-19(21)15-8-4-3-5-9-15)17-13-20(2)18-11-7-6-10-16(17)18/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1
InChIKeyAJOZGOGEOMGFPK-CQSZACIVSA-N
MW277.37 g/mol
LogP4.55
Rot. Bonds4

About (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one

(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one (PubChem CID 101252968) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
PubChem CID101252968
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
SMILESC[C@H](CC(=O)c1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H19NO/c1-14(12-19(21)15-8-4-3-5-9-15)17-13-20(2)18-11-7-6-10-16(17)18/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1
InChIKeyAJOZGOGEOMGFPK-CQSZACIVSA-N
XLogP4.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
6-(1-methylindol-3-yl)heptanoic acid
CID 112512728
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
1-dimethoxyphosphoryl-4-(1-methylindol-3-yl)pentan-2-one
CID 102085710
1-methyl-3-propan-2-ylindole
CID 10942942
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
CID 102282092
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
3-(1,7-dimethylindol-3-yl)butanoic acid
CID 82278698

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
The IUPAC name of (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one (CID 101252968) is (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one.
What is the SMILES notation for (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
The canonical SMILES for (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one is C[C@H](CC(=O)c1ccccc1)c1cn(C)c2ccccc12.
What is the InChIKey of (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
The InChIKey is AJOZGOGEOMGFPK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19NO/c1-14(12-19(21)15-8-4-3-5-9-15)17-13-20(2)18-11-7-6-10-16(17)18/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 101252968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).