[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride

C11H18ClN3O — CID 119631123

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCc1c[nH]cc1C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8-6-13-7-10(8)11(15)14-4-2-3-9(14)5-12;/h6-7,9,13H,2-5,12H2,1H3;1H
InChIKeyAOWMPJVLDWKUIF-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.31
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride (PubChem CID 119631123) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
PubChem CID119631123
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCc1c[nH]cc1C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8-6-13-7-10(8)11(15)14-4-2-3-9(14)5-12;/h6-7,9,13H,2-5,12H2,1H3;1H
InChIKeyAOWMPJVLDWKUIF-UHFFFAOYSA-N
XLogP1.31
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(3-iodo-2-methylphenyl)methanone;hydrochloride
CID 119633627
[2-(aminomethyl)pyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119633395
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119469360
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methyl-4-nitrophenyl)methanone
CID 81483341
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124699260

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride (CID 119631123) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride is Cc1c[nH]cc1C(=O)N1CCCC1CN.Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride?
The InChIKey is AOWMPJVLDWKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-8-6-13-7-10(8)11(15)14-4-2-3-9(14)5-12;/h6-7,9,13H,2-5,12H2,1H3;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119631123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).