2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride

C12H23ClN2O — CID 119765768

IUPAC2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN1C(=O)CNCC1CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)6-3-7-14(12)11(15)9-13-8-10-4-5-10;/h10,13H,3-9H2,1-2H3;1H
InChIKeySRKSQXHCABKIMO-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.81
Rot. Bonds4

About 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 119765768) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID119765768
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN1C(=O)CNCC1CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)6-3-7-14(12)11(15)9-13-8-10-4-5-10;/h10,13H,3-9H2,1-2H3;1H
InChIKeySRKSQXHCABKIMO-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride (CID 119765768) is 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride is CC1(C)CCCN1C(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is SRKSQXHCABKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-12(2)6-3-7-14(12)11(15)9-13-8-10-4-5-10;/h10,13H,3-9H2,1-2H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119765768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).