2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride

C10H18ClNO — CID 126845598

IUPAC2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
SMILESC(=C/C1CCCO1)\C1CCCN1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-3-9(11-7-1)5-6-10-4-2-8-12-10;/h5-6,9-11H,1-4,7-8H2;1H/b6-5+;
InChIKeyCFNSEMICVLBDMH-IPZCTEOASA-N
MW203.71 g/mol
LogP1.90
Rot. Bonds2

About 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride

2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride (PubChem CID 126845598) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
PubChem CID126845598
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
SMILESC(=C/C1CCCO1)\C1CCCN1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-3-9(11-7-1)5-6-10-4-2-8-12-10;/h5-6,9-11H,1-4,7-8H2;1H/b6-5+;
InChIKeyCFNSEMICVLBDMH-IPZCTEOASA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
2-[(E)-prop-1-enyl]oxolane
CID 12508233
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
2-buta-1,3-dienyloxane
CID 150390930
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776
(E)-4-(oxolan-2-yl)but-3-en-1-amine
CID 82838045
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine
CID 117267558
2-[(Z)-pent-1-enyl]pyrrolidine
CID 55300671
CID 101368257
CID 101368257

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride (CID 126845598) is 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride is C(=C/C1CCCO1)\C1CCCN1.Cl.
What is the InChIKey of 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride?
The InChIKey is CFNSEMICVLBDMH-IPZCTEOASA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-3-9(11-7-1)5-6-10-4-2-8-12-10;/h5-6,9-11H,1-4,7-8H2;1H/b6-5+;.
What are the key properties of 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride?
2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 126845598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).