[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone

C17H21N3O — CID 62061622

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone
SMILESNCC1CCN(C(=O)c2cccn2Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O/c18-11-15-8-10-20(13-15)17(21)16-7-4-9-19(16)12-14-5-2-1-3-6-14/h1-7,9,15H,8,10-13,18H2
InChIKeyGVKYWDZZXPMWMK-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.96
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone (PubChem CID 62061622) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone
PubChem CID62061622
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone
SMILESNCC1CCN(C(=O)c2cccn2Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O/c18-11-15-8-10-20(13-15)17(21)16-7-4-9-19(16)12-14-5-2-1-3-6-14/h1-7,9,15H,8,10-13,18H2
InChIKeyGVKYWDZZXPMWMK-UHFFFAOYSA-N
XLogP1.96
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzylpyrrol-2-yl)methanone
CID 55561349
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 62063026
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-one;hydrochloride
CID 119484288
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone (CID 62061622) is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone is NCC1CCN(C(=O)c2cccn2Cc2ccccc2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone?
The InChIKey is GVKYWDZZXPMWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-15-8-10-20(13-15)17(21)16-7-4-9-19(16)12-14-5-2-1-3-6-14/h1-7,9,15H,8,10-13,18H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone is sourced from PubChem (CID 62061622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).