(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone

C11H19NO — CID 130610130

IUPAC(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCC1CCC(C)N1C(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C11H19NO/c1-7-6-10(7)11(13)12-8(2)4-5-9(12)3/h7-10H,4-6H2,1-3H3/t7-,8?,9?,10-/m1/s1
InChIKeyYEOXBKPAYPPHTF-SEZDTBSWSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds1

About (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone

(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 130610130) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID130610130
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCC1CCC(C)N1C(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C11H19NO/c1-7-6-10(7)11(13)12-8(2)4-5-9(12)3/h7-10H,4-6H2,1-3H3/t7-,8?,9?,10-/m1/s1
InChIKeyYEOXBKPAYPPHTF-SEZDTBSWSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60791393
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
(2-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
CID 123276609
cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124523302
(2S,5S)-2,5-dimethylpyrrolidine-1-carbothioic S-acid
CID 88721529
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130654803
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone (CID 130610130) is (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone is CC1CCC(C)N1C(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is YEOXBKPAYPPHTF-SEZDTBSWSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-6-10(7)11(13)12-8(2)4-5-9(12)3/h7-10H,4-6H2,1-3H3/t7-,8?,9?,10-/m1/s1.
What are the key properties of (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 181.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 130610130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).