4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine

C10H20ClNO — CID 130863604

IUPAC4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
SMILESCOC(C)CN1CC(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClNO/c1-8(13-4)5-12-6-9(11)10(2,3)7-12/h8-9H,5-7H2,1-4H3
InChIKeyYOQWVUIHKIVSRG-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine

4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine (PubChem CID 130863604) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
PubChem CID130863604
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
SMILESCOC(C)CN1CC(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClNO/c1-8(13-4)5-12-6-9(11)10(2,3)7-12/h8-9H,5-7H2,1-4H3
InChIKeyYOQWVUIHKIVSRG-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
CID 106837993
1-(3-methoxybutyl)-3,3-dimethylpyrrolidine
CID 145296395
4,4-dimethyl-1-(2-methylpropyl)pyrrolidin-3-amine
CID 131010662
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
1-(2-methoxypropyl)-3-methylpiperidin-4-ol
CID 114502642
4-chloro-3,3-dimethyl-1-[(5-methylthiophen-3-yl)methyl]pyrrolidine
CID 130770092
5-cyclopropyl-1-(2-methoxypropyl)-2,2,5-trimethylpiperazine
CID 113383050
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188707
1-[1-(2-methoxypropyl)piperidin-4-yl]imidazolidin-2-one
CID 18340088
1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
3-amino-1-(2-methoxypropyl)azetidin-2-one
CID 102702135
2-cyclopropyl-1-(2-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine
CID 113383024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
The IUPAC name of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine (CID 130863604) is 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine is COC(C)CN1CC(Cl)C(C)(C)C1.
What is the InChIKey of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
The InChIKey is YOQWVUIHKIVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(13-4)5-12-6-9(11)10(2,3)7-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine has a molecular weight of 205.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 130863604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).