[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone

C23H25N3O — CID 120741789

IUPAC[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)ccc1-c1ccccc1
InChIInChI=1S/C23H25N3O/c1-25-21(18-10-6-3-7-11-18)12-13-22(25)23(27)26-15-19(14-24)20(16-26)17-8-4-2-5-9-17/h2-13,19-20H,14-16,24H2,1H3/t19-,20+/m1/s1
InChIKeyOPYCRINNYABBDL-UXHICEINSA-N
MW359.47 g/mol
LogP3.51
Rot. Bonds4

About [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone (PubChem CID 120741789) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
PubChem CID120741789
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)ccc1-c1ccccc1
InChIInChI=1S/C23H25N3O/c1-25-21(18-10-6-3-7-11-18)12-13-22(25)23(27)26-15-19(14-24)20(16-26)17-8-4-2-5-9-17/h2-13,19-20H,14-16,24H2,1H3/t19-,20+/m1/s1
InChIKeyOPYCRINNYABBDL-UXHICEINSA-N
XLogP3.51
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 120744886
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 120742580
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 120742435
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpyrrole-3-carboxamide;hydrochloride
CID 120743415
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 120745319
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 120745523
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120742855
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 120743708
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120744952
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-3-yl)methanone
CID 120745387

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone (CID 120741789) is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone is Cn1c(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)ccc1-c1ccccc1.
What is the InChIKey of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The InChIKey is OPYCRINNYABBDL-UXHICEINSA-N. The full InChI is InChI=1S/C23H25N3O/c1-25-21(18-10-6-3-7-11-18)12-13-22(25)23(27)26-15-19(14-24)20(16-26)17-8-4-2-5-9-17/h2-13,19-20H,14-16,24H2,1H3/t19-,20+/m1/s1.
What are the key properties of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone is sourced from PubChem (CID 120741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).