1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride

C12H22ClN3O2 — CID 119758192

IUPAC1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCN1CC(NC(=O)C2(CN)CCCC2)CC1=O.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-15-7-9(6-10(15)16)14-11(17)12(8-13)4-2-3-5-12;/h9H,2-8,13H2,1H3,(H,14,17);1H
InChIKeyPPIQOHVITUTASL-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.27
Rot. Bonds3

About 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119758192) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119758192
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCN1CC(NC(=O)C2(CN)CCCC2)CC1=O.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-15-7-9(6-10(15)16)14-11(17)12(8-13)4-2-3-5-12;/h9H,2-8,13H2,1H3,(H,14,17);1H
InChIKeyPPIQOHVITUTASL-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120937591
4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide
CID 120930377
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
1-(aminomethyl)-4-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115442318
1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853473
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
CID 126983919

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119758192) is 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride is CN1CC(NC(=O)C2(CN)CCCC2)CC1=O.Cl.
What is the InChIKey of 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is PPIQOHVITUTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-15-7-9(6-10(15)16)14-11(17)12(8-13)4-2-3-5-12;/h9H,2-8,13H2,1H3,(H,14,17);1H.
What are the key properties of 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119758192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).