2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

C12H22N2O2 — CID 102780606

IUPAC2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CNCC2CC2)C1CO
InChIInChI=1S/C12H22N2O2/c1-9-4-5-14(11(9)8-15)12(16)7-13-6-10-2-3-10/h9-11,13,15H,2-8H2,1H3
InChIKeyWMPCDXHJQUSWQN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 102780606) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID102780606
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CNCC2CC2)C1CO
InChIInChI=1S/C12H22N2O2/c1-9-4-5-14(11(9)8-15)12(16)7-13-6-10-2-3-10/h9-11,13,15H,2-8H2,1H3
InChIKeyWMPCDXHJQUSWQN-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780602
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
5-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pentan-1-one
CID 107910725
N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 102737920
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
6-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]hexan-1-one
CID 102780522
ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate
CID 102784479
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetohydrazide
CID 102784332
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81203290

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 102780606) is 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is CC1CCN(C(=O)CNCC2CC2)C1CO.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is WMPCDXHJQUSWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-4-5-14(11(9)8-15)12(16)7-13-6-10-2-3-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102780606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).