1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one

C19H21N3O3 — CID 125146734

IUPAC1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
SMILESNC[C@@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1
InChIInChI=1S/C19H21N3O3/c20-10-13-5-7-21(11-13)19(24)18-15(6-8-25-18)12-22-16-4-2-1-3-14(16)9-17(22)23/h1-4,6,8,13H,5,7,9-12,20H2/t13-/m0/s1
InChIKeyOMYYYUAUWSPVKF-ZDUSSCGKSA-N
MW339.39 g/mol
LogP1.79
Rot. Bonds4

About 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one

1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one (PubChem CID 125146734) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
PubChem CID125146734
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
SMILESNC[C@@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1
InChIInChI=1S/C19H21N3O3/c20-10-13-5-7-21(11-13)19(24)18-15(6-8-25-18)12-22-16-4-2-1-3-14(16)9-17(22)23/h1-4,6,8,13H,5,7,9-12,20H2/t13-/m0/s1
InChIKeyOMYYYUAUWSPVKF-ZDUSSCGKSA-N
XLogP1.79
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one with MolForge

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Related Compounds

1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354664
1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119645188
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119622525
1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119593691
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119475490
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119613936
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 119613935
3-[(2-oxo-3H-indol-1-yl)methyl]-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119425394
N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
CID 125146446

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one (CID 125146734) is 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one is NC[C@@H]1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1.
What is the InChIKey of 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The InChIKey is OMYYYUAUWSPVKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-10-13-5-7-21(11-13)19(24)18-15(6-8-25-18)12-22-16-4-2-1-3-14(16)9-17(22)23/h1-4,6,8,13H,5,7,9-12,20H2/t13-/m0/s1.
What are the key properties of 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one has a molecular weight of 339.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 125146734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).