2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine

C12H22ClNO — CID 63388857

IUPAC2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClCCCC1CCCN1CC1CCCO1
InChIInChI=1S/C12H22ClNO/c13-7-1-4-11-5-2-8-14(11)10-12-6-3-9-15-12/h11-12H,1-10H2
InChIKeyHGGXMYYPONOFKC-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.65
Rot. Bonds5

About 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine

2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine (PubChem CID 63388857) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
PubChem CID63388857
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClCCCC1CCCN1CC1CCCO1
InChIInChI=1S/C12H22ClNO/c13-7-1-4-11-5-2-8-14(11)10-12-6-3-9-15-12/h11-12H,1-10H2
InChIKeyHGGXMYYPONOFKC-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.65
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

[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
2-(3-chloropropyl)oxane
CID 23511686
2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
CID 23318285
2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
CID 63388670
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
CID 102784519

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine (CID 63388857) is 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine is ClCCCC1CCCN1CC1CCCO1.
What is the InChIKey of 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The InChIKey is HGGXMYYPONOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-7-1-4-11-5-2-8-14(11)10-12-6-3-9-15-12/h11-12H,1-10H2.
What are the key properties of 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine has a molecular weight of 231.77 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 63388857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).