3-(2-chloroprop-2-enoxy)pyrrolidine

C7H12ClNO — CID 62328785

IUPAC3-(2-chloroprop-2-enoxy)pyrrolidine
SMILESC=C(Cl)COC1CCNC1
InChIInChI=1S/C7H12ClNO/c1-6(8)5-10-7-2-3-9-4-7/h7,9H,1-5H2
InChIKeyQUJMBSYPFZSHAL-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.12
Rot. Bonds3

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

3-(2-chloroprop-2-enoxy)pyrrolidine (PubChem CID 62328785) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxy)pyrrolidine
PubChem CID62328785
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name3-(2-chloroprop-2-enoxy)pyrrolidine
SMILESC=C(Cl)COC1CCNC1
InChIInChI=1S/C7H12ClNO/c1-6(8)5-10-7-2-3-9-4-7/h7,9H,1-5H2
InChIKeyQUJMBSYPFZSHAL-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloroprop-2-enoxy)piperidine
CID 43167841
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
(3S)-3-(2-methylprop-2-enoxy)piperidine
CID 66247581
(3S)-3-(2-bromoprop-2-enoxy)piperidine
CID 66247193
(3S)-3-prop-2-enoxypyrrolidine
CID 26191822
3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
N,N-diethyl-2-pyrrolidin-3-yloxyacetamide
CID 62327394

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxy)pyrrolidine?
The IUPAC name of 3-(2-chloroprop-2-enoxy)pyrrolidine (CID 62328785) is 3-(2-chloroprop-2-enoxy)pyrrolidine.
What is the SMILES notation for 3-(2-chloroprop-2-enoxy)pyrrolidine?
The canonical SMILES for 3-(2-chloroprop-2-enoxy)pyrrolidine is C=C(Cl)COC1CCNC1.
What is the InChIKey of 3-(2-chloroprop-2-enoxy)pyrrolidine?
The InChIKey is QUJMBSYPFZSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-6(8)5-10-7-2-3-9-4-7/h7,9H,1-5H2.
What are the key properties of 3-(2-chloroprop-2-enoxy)pyrrolidine?
3-(2-chloroprop-2-enoxy)pyrrolidine has a molecular weight of 161.63 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enoxy)pyrrolidine is sourced from PubChem (CID 62328785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).