2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine

C8H14BrNO — CID 61039215

IUPAC2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCOC1
InChIInChI=1S/C8H14BrNO/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2
InChIKeyTXKCQHLFUFFFBO-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.52
Rot. Bonds4

About 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine

2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 61039215) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID61039215
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCOC1
InChIInChI=1S/C8H14BrNO/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2
InChIKeyTXKCQHLFUFFFBO-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (CID 61039215) is 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is C=C(Br)CNCC1CCOC1.
What is the InChIKey of 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is TXKCQHLFUFFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2.
What are the key properties of 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 220.11 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 61039215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).