2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine

C9H16ClNO — CID 106439105

IUPAC2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
SMILESCC(=CCl)COCC1CCCN1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-12-7-9-3-2-4-11-9/h5,9,11H,2-4,6-7H2,1H3
InChIKeyGQVHZLQYGUCANP-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds4

About 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine

2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine (PubChem CID 106439105) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
PubChem CID106439105
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
SMILESCC(=CCl)COCC1CCCN1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-12-7-9-3-2-4-11-9/h5,9,11H,2-4,6-7H2,1H3
InChIKeyGQVHZLQYGUCANP-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine
CID 62332848
2-(3-Methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-(2-Chloroprop-2-enoxymethyl)pyrrolidine
CID 62333039
2-(2-Methylidenebutoxymethyl)pyrrolidine
CID 66045266
2-(3-Chloroprop-2-enoxymethyl)pyrrolidine
CID 76939977
2-(2,3-Dichloroprop-2-enoxymethyl)pyrrolidine
CID 79174179
2-[(3-Chloro-2-methylprop-2-enoxy)methyl]piperidine
CID 106439104

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine (CID 106439105) is 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine is CC(=CCl)COCC1CCCN1.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
The InChIKey is GQVHZLQYGUCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(5-10)6-12-7-9-3-2-4-11-9/h5,9,11H,2-4,6-7H2,1H3.
What are the key properties of 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine is sourced from PubChem (CID 106439105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).