(4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone

C11H18ClNO — CID 130815930

IUPAC(4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone
SMILESCC[C@@H]1C[C@H]1C(=O)N1CC(Cl)CC1C
InChIInChI=1S/C11H18ClNO/c1-3-8-5-10(8)11(14)13-6-9(12)4-7(13)2/h7-10H,3-6H2,1-2H3/t7?,8-,9?,10-/m1/s1
InChIKeyYHIXKOHFODJCAM-QLVNRRSVSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds2

About (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone

(4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone (PubChem CID 130815930) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone
PubChem CID130815930
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone
SMILESCC[C@@H]1C[C@H]1C(=O)N1CC(Cl)CC1C
InChIInChI=1S/C11H18ClNO/c1-3-8-5-10(8)11(14)13-6-9(12)4-7(13)2/h7-10H,3-6H2,1-2H3/t7?,8-,9?,10-/m1/s1
InChIKeyYHIXKOHFODJCAM-QLVNRRSVSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone?
The IUPAC name of (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone (CID 130815930) is (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone.
What is the SMILES notation for (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone?
The canonical SMILES for (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone is CC[C@@H]1C[C@H]1C(=O)N1CC(Cl)CC1C.
What is the InChIKey of (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone?
The InChIKey is YHIXKOHFODJCAM-QLVNRRSVSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-3-8-5-10(8)11(14)13-6-9(12)4-7(13)2/h7-10H,3-6H2,1-2H3/t7?,8-,9?,10-/m1/s1.
What are the key properties of (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone?
(4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone has a molecular weight of 215.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylpyrrolidin-1-yl)-[(1R,2R)-2-ethylcyclopropyl]methanone is sourced from PubChem (CID 130815930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).