2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol

C8H14BrNO — CID 63296815

IUPAC2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol
SMILESC=C(Br)CNCC(O)C1CC1
InChIInChI=1S/C8H14BrNO/c1-6(9)4-10-5-8(11)7-2-3-7/h7-8,10-11H,1-5H2
InChIKeyJGSSEEDJWPQJRB-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.26
Rot. Bonds5

About 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol

2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol (PubChem CID 63296815) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol
PubChem CID63296815
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol
SMILESC=C(Br)CNCC(O)C1CC1
InChIInChI=1S/C8H14BrNO/c1-6(9)4-10-5-8(11)7-2-3-7/h7-8,10-11H,1-5H2
InChIKeyJGSSEEDJWPQJRB-UHFFFAOYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol (CID 63296815) is 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol is C=C(Br)CNCC(O)C1CC1.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol?
The InChIKey is JGSSEEDJWPQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-6(9)4-10-5-8(11)7-2-3-7/h7-8,10-11H,1-5H2.
What are the key properties of 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol?
2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol has a molecular weight of 220.11 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-1-cyclopropylethanol is sourced from PubChem (CID 63296815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).