(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone

C11H19NO — CID 130685547

IUPAC(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESCCC1CCCN1C(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C11H19NO/c1-3-9-5-4-6-12(9)11(13)10-7-8(10)2/h8-10H,3-7H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyUQEGMJOMQLCWJL-SMILAEQMSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone

(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 130685547) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID130685547
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESCCC1CCCN1C(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C11H19NO/c1-3-9-5-4-6-12(9)11(13)10-7-8(10)2/h8-10H,3-7H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyUQEGMJOMQLCWJL-SMILAEQMSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-methylcyclohexyl)-(2-ethylpiperidin-1-yl)methanone
CID 55116507
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 63396360
(2-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
CID 123276609
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 109132625
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
CID 12760884
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
CID 112701878
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone (CID 130685547) is (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone is CCC1CCCN1C(=O)[C@H]1C[C@@H]1C.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is UQEGMJOMQLCWJL-SMILAEQMSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9-5-4-6-12(9)11(13)10-7-8(10)2/h8-10H,3-7H2,1-2H3/t8-,9?,10-/m0/s1.
What are the key properties of (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone has a molecular weight of 181.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 130685547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).