1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one

C21H25N3O — CID 124829160

IUPAC1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one
SMILESC[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc3c(c2)CC(=O)N3C)C1
InChIInChI=1S/C21H25N3O/c1-15(16-6-4-3-5-7-16)24-11-10-19(14-24)22-18-8-9-20-17(12-18)13-21(25)23(20)2/h3-9,12,15,19,22H,10-11,13-14H2,1-2H3/t15-,19-/m1/s1
InChIKeyWMAZIVHVMJDUJD-DNVCBOLYSA-N
MW335.45 g/mol
LogP3.45
Rot. Bonds4

About 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one

1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one (PubChem CID 124829160) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one
PubChem CID124829160
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one
SMILESC[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc3c(c2)CC(=O)N3C)C1
InChIInChI=1S/C21H25N3O/c1-15(16-6-4-3-5-7-16)24-11-10-19(14-24)22-18-8-9-20-17(12-18)13-21(25)23(20)2/h3-9,12,15,19,22H,10-11,13-14H2,1-2H3/t15-,19-/m1/s1
InChIKeyWMAZIVHVMJDUJD-DNVCBOLYSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one (CID 124829160) is 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one is C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc3c(c2)CC(=O)N3C)C1.
What is the InChIKey of 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one?
The InChIKey is WMAZIVHVMJDUJD-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(16-6-4-3-5-7-16)24-11-10-19(14-24)22-18-8-9-20-17(12-18)13-21(25)23(20)2/h3-9,12,15,19,22H,10-11,13-14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one?
1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one has a molecular weight of 335.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one is sourced from PubChem (CID 124829160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).