2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol

C9H16ClNO — CID 115648536

IUPAC2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(C/C=C/Cl)C1
InChIInChI=1S/C9H16ClNO/c10-4-1-5-11-6-2-9(8-11)3-7-12/h1,4,9,12H,2-3,5-8H2/b4-1+
InChIKeyXZZQMQWXLWKXTR-DAFODLJHSA-N
MW189.69 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol

2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648536) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
PubChem CID115648536
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(C/C=C/Cl)C1
InChIInChI=1S/C9H16ClNO/c10-4-1-5-11-6-2-9(8-11)3-7-12/h1,4,9,12H,2-3,5-8H2/b4-1+
InChIKeyXZZQMQWXLWKXTR-DAFODLJHSA-N
XLogP1.44
TPSA23.47 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
CID 131231907
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine
CID 131248662
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
CID 107900967
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol (CID 115648536) is 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(C/C=C/Cl)C1.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol?
The InChIKey is XZZQMQWXLWKXTR-DAFODLJHSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-4-1-5-11-6-2-9(8-11)3-7-12/h1,4,9,12H,2-3,5-8H2/b4-1+.
What are the key properties of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol?
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol has a molecular weight of 189.69 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).