3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol

C10H18ClNO — CID 62469225

IUPAC3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESC=C(Cl)CN1CCCC1CCCO
InChIInChI=1S/C10H18ClNO/c1-9(11)8-12-6-2-4-10(12)5-3-7-13/h10,13H,1-8H2
InChIKeyMYTDYFDDINCVFL-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.98
Rot. Bonds5

About 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469225) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469225
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESC=C(Cl)CN1CCCC1CCCO
InChIInChI=1S/C10H18ClNO/c1-9(11)8-12-6-2-4-10(12)5-3-7-13/h10,13H,1-8H2
InChIKeyMYTDYFDDINCVFL-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol (CID 62469225) is 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol is C=C(Cl)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is MYTDYFDDINCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(11)8-12-6-2-4-10(12)5-3-7-13/h10,13H,1-8H2.
What are the key properties of 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 203.71 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).