[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone

C17H21N3O — CID 124696902

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC[C@@H]2CN)ccc1-c1ccccc1
InChIInChI=1S/C17H21N3O/c1-19-15(13-6-3-2-4-7-13)9-10-16(19)17(21)20-11-5-8-14(20)12-18/h2-4,6-7,9-10,14H,5,8,11-12,18H2,1H3/t14-/m1/s1
InChIKeyPYEPZIGQKZYLCD-CQSZACIVSA-N
MW283.38 g/mol
LogP2.26
Rot. Bonds3

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone (PubChem CID 124696902) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
PubChem CID124696902
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC[C@@H]2CN)ccc1-c1ccccc1
InChIInChI=1S/C17H21N3O/c1-19-15(13-6-3-2-4-7-13)9-10-16(19)17(21)20-11-5-8-14(20)12-18/h2-4,6-7,9-10,14H,5,8,11-12,18H2,1H3/t14-/m1/s1
InChIKeyPYEPZIGQKZYLCD-CQSZACIVSA-N
XLogP2.26
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254794
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119632620
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119467848
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 120741789
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509
[2-(aminomethyl)azepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 116639984

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone (CID 124696902) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone is Cn1c(C(=O)N2CCC[C@@H]2CN)ccc1-c1ccccc1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The InChIKey is PYEPZIGQKZYLCD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-15(13-6-3-2-4-7-13)9-10-16(19)17(21)20-11-5-8-14(20)12-18/h2-4,6-7,9-10,14H,5,8,11-12,18H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone is sourced from PubChem (CID 124696902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).