1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine

C10H18ClNO — CID 14371649

IUPAC1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine
SMILESC=CCOCC(Cl)CN1CCCC1
InChIInChI=1S/C10H18ClNO/c1-2-7-13-9-10(11)8-12-5-3-4-6-12/h2,10H,1,3-9H2
InChIKeyRPRHXYZEEUJBHN-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds6

About 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine

1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine (PubChem CID 14371649) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine
PubChem CID14371649
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine
SMILESC=CCOCC(Cl)CN1CCCC1
InChIInChI=1S/C10H18ClNO/c1-2-7-13-9-10(11)8-12-5-3-4-6-12/h2,10H,1,3-9H2
InChIKeyRPRHXYZEEUJBHN-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]-3-prop-2-enoxypropan-2-ol
CID 86764691
1-(prop-2-enoxymethyl)piperidine
CID 14644958
1-chloro-2-prop-2-enoxyethanamine;hydrochloride
CID 174944456
1-(2-chloropropyl)pyrrolidine
CID 3020097
1-(2-chloro-3-piperidin-1-ylpropoxy)-1-oxido-2H-pyridin-1-ium
CID 142669073
1-(2-ethenylbut-3-enyl)piperidine;methanamine
CID 144798993
1-prop-2-enyl(213C)azinane
CID 173137320
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
CID 170724372
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758
(2S)-3-methyl-N-prop-2-enyl-1-pyrrolidin-1-ylbutan-2-amine;dihydrochloride
CID 44890923

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine?
The IUPAC name of 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine (CID 14371649) is 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine?
The canonical SMILES for 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine is C=CCOCC(Cl)CN1CCCC1.
What is the InChIKey of 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine?
The InChIKey is RPRHXYZEEUJBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-7-13-9-10(11)8-12-5-3-4-6-12/h2,10H,1,3-9H2.
What are the key properties of 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine?
1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-prop-2-enoxypropyl)pyrrolidine is sourced from PubChem (CID 14371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).