2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

C12H22N2O — CID 81478302

IUPAC2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)C(C)C2CC2)C1
InChIInChI=1S/C12H22N2O/c1-9(11-3-4-11)12(15)14-6-5-10(8-14)7-13-2/h9-11,13H,3-8H2,1-2H3
InChIKeyCWEJCPMQUOERNV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds4

About 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 81478302) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID81478302
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)C(C)C2CC2)C1
InChIInChI=1S/C12H22N2O/c1-9(11-3-4-11)12(15)14-6-5-10(8-14)7-13-2/h9-11,13H,3-8H2,1-2H3
InChIKeyCWEJCPMQUOERNV-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
CID 83147525
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
1-[3-(methylaminomethyl)piperidin-1-yl]-2-sulfanylpropan-1-one
CID 107024099
2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119542361
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119542360
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (CID 81478302) is 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is CNCC1CCN(C(=O)C(C)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is CWEJCPMQUOERNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(11-3-4-11)12(15)14-6-5-10(8-14)7-13-2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 81478302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).