2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine

C8H14ClNO — CID 62332848

IUPAC2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine
SMILESCl/C=C/COCC1CCCN1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-7-8-3-1-5-10-8/h2,4,8,10H,1,3,5-7H2/b4-2+
InChIKeyLWQVUNFIAKPEEI-DUXPYHPUSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds4

About 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine

2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine (PubChem CID 62332848) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine
PubChem CID62332848
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine
SMILESCl/C=C/COCC1CCCN1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-7-8-3-1-5-10-8/h2,4,8,10H,1,3,5-7H2/b4-2+
InChIKeyLWQVUNFIAKPEEI-DUXPYHPUSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(prop-2-enoxymethyl)pyrrolidine
CID 39063094
(2R)-2-(prop-2-enoxymethyl)pyrrolidine
CID 57985002
2-(Prop-2-enoxymethyl)pyrrolidine
CID 62333040
O-prop-2-enyl (2S)-pyrrolidine-2-carbothioate
CID 88128958
2-[[(E)-but-2-enoxy]methyl]pyrrolidine
CID 62332852
2-(2-Chloroprop-2-enoxymethyl)pyrrolidine
CID 62333039
2-(3-Chloroprop-2-enoxymethyl)pyrrolidine
CID 76939977
2-(But-2-enoxymethyl)pyrrolidine
CID 76939979
2-(2,3-Dichloroprop-2-enoxymethyl)pyrrolidine
CID 79174179
2-[(3-Chloro-2-methylprop-2-enoxy)methyl]pyrrolidine
CID 106439105

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine (CID 62332848) is 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine is Cl/C=C/COCC1CCCN1.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine?
The InChIKey is LWQVUNFIAKPEEI-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-2-6-11-7-8-3-1-5-10-8/h2,4,8,10H,1,3,5-7H2/b4-2+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine?
2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine has a molecular weight of 175.66 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine is sourced from PubChem (CID 62332848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).