[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone

C19H27N3O — CID 72927870

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C[C@@H]1N
InChIInChI=1S/C19H27N3O/c1-5-6-14-9-22(10-16(14)20)19(23)18-13(4)15-8-11(2)7-12(3)17(15)21-18/h7-8,14,16,21H,5-6,9-10,20H2,1-4H3/t14-,16-/m0/s1
InChIKeyABQBVVJGPPFGFO-HOCLYGCPSA-N
MW313.44 g/mol
LogP3.29
Rot. Bonds3

About [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 72927870) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID72927870
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C[C@@H]1N
InChIInChI=1S/C19H27N3O/c1-5-6-14-9-22(10-16(14)20)19(23)18-13(4)15-8-11(2)7-12(3)17(15)21-18/h7-8,14,16,21H,5-6,9-10,20H2,1-4H3/t14-,16-/m0/s1
InChIKeyABQBVVJGPPFGFO-HOCLYGCPSA-N
XLogP3.29
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone with MolForge

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Related Compounds

[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97122706
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 70744669
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 72904462
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 72869169
[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97137913
3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
CID 154896293
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72850063
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 133133676
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide
CID 97114573
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 133132253
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]methanone
CID 72911785

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone (CID 72927870) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone is CCC[C@H]1CN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is ABQBVVJGPPFGFO-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H27N3O/c1-5-6-14-9-22(10-16(14)20)19(23)18-13(4)15-8-11(2)7-12(3)17(15)21-18/h7-8,14,16,21H,5-6,9-10,20H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 313.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 72927870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).