[1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol

C8H14BrNO — CID 62016319

IUPAC[1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(Br)CN1CCCC1CO
InChIInChI=1S/C8H14BrNO/c1-7(9)5-10-4-2-3-8(10)6-11/h8,11H,1-6H2
InChIKeyASZXPURJGNFNAB-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.35
Rot. Bonds3

About [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol

[1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 62016319) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID62016319
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name[1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=C(Br)CN1CCCC1CO
InChIInChI=1S/C8H14BrNO/c1-7(9)5-10-4-2-3-8(10)6-11/h8,11H,1-6H2
InChIKeyASZXPURJGNFNAB-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol (CID 62016319) is [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol is C=C(Br)CN1CCCC1CO.
What is the InChIKey of [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is ASZXPURJGNFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-7(9)5-10-4-2-3-8(10)6-11/h8,11H,1-6H2.
What are the key properties of [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol?
[1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 220.11 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoprop-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62016319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).