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

C9H16ClNO — CID 106439115

IUPAC3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
SMILESCC(=CCl)COCC1CCNC1
InChIInChI=1S/C9H16ClNO/c1-8(4-10)6-12-7-9-2-3-11-5-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyHQTCWYZMIGZFKW-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.76
Rot. Bonds4

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

3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine (PubChem CID 106439115) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
PubChem CID106439115
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
SMILESCC(=CCl)COCC1CCNC1
InChIInChI=1S/C9H16ClNO/c1-8(4-10)6-12-7-9-2-3-11-5-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyHQTCWYZMIGZFKW-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-methylprop-2-enoxy)methyl]morpholine
CID 106439146
N-(2-methylbutan-2-yl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62372287
2-methyl-1-(pyrrolidin-3-ylmethoxy)propan-2-ol
CID 106939814
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
N-methyl-N-propan-2-yl-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371421
N-cyclopropyl-N-ethyl-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371060
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
CID 56829885
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277
3-(2-chloroprop-2-enoxymethyl)piperidine
CID 62340903

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
The IUPAC name of 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine (CID 106439115) is 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine is CC(=CCl)COCC1CCNC1.
What is the InChIKey of 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
The InChIKey is HQTCWYZMIGZFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(4-10)6-12-7-9-2-3-11-5-9/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine?
3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine has a molecular weight of 189.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylprop-2-enoxy)methyl]pyrrolidine is sourced from PubChem (CID 106439115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).