1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride

C11H21ClN2O2 — CID 119632044

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)CC1CCOC1
InChIInChI=1S/C11H20N2O2.ClH/c12-7-10-2-1-4-13(10)11(14)6-9-3-5-15-8-9;/h9-10H,1-8,12H2;1H
InChIKeyQYWFLAAPCHNCRI-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.78
Rot. Bonds3

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride (PubChem CID 119632044) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
PubChem CID119632044
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)CC1CCOC1
InChIInChI=1S/C11H20N2O2.ClH/c12-7-10-2-1-4-13(10)11(14)6-9-3-5-15-8-9;/h9-10H,1-8,12H2;1H
InChIKeyQYWFLAAPCHNCRI-UHFFFAOYSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
CID 110855934
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119489417
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159910
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 119634302
1-[2-(aminomethyl)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 119469675
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3S)-oxan-3-yl]propan-1-one
CID 124691768
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride (CID 119632044) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride is Cl.NCC1CCCN1C(=O)CC1CCOC1.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
The InChIKey is QYWFLAAPCHNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c12-7-10-2-1-4-13(10)11(14)6-9-3-5-15-8-9;/h9-10H,1-8,12H2;1H.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 119632044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).