3-(2-chloroprop-2-enoxymethyl)pyrrolidine

C8H14ClNO — CID 62371235

IUPAC3-(2-chloroprop-2-enoxymethyl)pyrrolidine
SMILESC=C(Cl)COCC1CCNC1
InChIInChI=1S/C8H14ClNO/c1-7(9)5-11-6-8-2-3-10-4-8/h8,10H,1-6H2
InChIKeyLVARYUSRPVGWQI-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.37
Rot. Bonds4

About 3-(2-chloroprop-2-enoxymethyl)pyrrolidine

3-(2-chloroprop-2-enoxymethyl)pyrrolidine (PubChem CID 62371235) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxymethyl)pyrrolidine
PubChem CID62371235
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-(2-chloroprop-2-enoxymethyl)pyrrolidine
SMILESC=C(Cl)COCC1CCNC1
InChIInChI=1S/C8H14ClNO/c1-7(9)5-11-6-8-2-3-10-4-8/h8,10H,1-6H2
InChIKeyLVARYUSRPVGWQI-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Allyloxy)methyl]pyrrolidine hydrochloride
CID 53409467
3-(Prop-2-enoxymethyl)pyrrolidine
CID 53409468
2-Methyl-2-propenyl 3-pyrrolidinylmethyl ether hydrochloride
CID 56830002
3-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 56830003
2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 61039216
3-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine
CID 62371049
3-(2-Bromoprop-2-enoxymethyl)pyrrolidine
CID 62371244
3-(3-Chloroprop-2-enoxymethyl)pyrrolidine
CID 76941759
3-(2,3-Dichloroprop-2-enoxymethyl)pyrrolidine
CID 79172967
(3R)-3-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 86320870
(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 86320872
(3R)-3-(prop-2-enoxymethyl)pyrrolidine
CID 93907706

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxymethyl)pyrrolidine?
The IUPAC name of 3-(2-chloroprop-2-enoxymethyl)pyrrolidine (CID 62371235) is 3-(2-chloroprop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloroprop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 3-(2-chloroprop-2-enoxymethyl)pyrrolidine is C=C(Cl)COCC1CCNC1.
What is the InChIKey of 3-(2-chloroprop-2-enoxymethyl)pyrrolidine?
The InChIKey is LVARYUSRPVGWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7(9)5-11-6-8-2-3-10-4-8/h8,10H,1-6H2.
What are the key properties of 3-(2-chloroprop-2-enoxymethyl)pyrrolidine?
3-(2-chloroprop-2-enoxymethyl)pyrrolidine has a molecular weight of 175.66 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 62371235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).