1-(3-bromoprop-2-enyl)azetidine;hydrobromide

C6H11Br2N — CID 75098598

IUPAC1-(3-bromoprop-2-enyl)azetidine;hydrobromide
SMILESBr.BrC=CCN1CCC1
InChIInChI=1S/C6H10BrN.BrH/c7-3-1-4-8-5-2-6-8;/h1,3H,2,4-6H2;1H
InChIKeyOPXLUMHLTWUNED-UHFFFAOYSA-N
MW256.97 g/mol
LogP2.18
Rot. Bonds2

About 1-(3-bromoprop-2-enyl)azetidine;hydrobromide

1-(3-bromoprop-2-enyl)azetidine;hydrobromide (PubChem CID 75098598) has the molecular formula C6H11Br2N and a molecular weight of 256.97 g/mol. Its IUPAC name is 1-(3-bromoprop-2-enyl)azetidine;hydrobromide.

Molecular Properties

Compound Name1-(3-bromoprop-2-enyl)azetidine;hydrobromide
PubChem CID75098598
Molecular FormulaC6H11Br2N
Molecular Weight256.97 g/mol
Exact Mass254.93
IUPAC Name1-(3-bromoprop-2-enyl)azetidine;hydrobromide
SMILESBr.BrC=CCN1CCC1
InChIInChI=1S/C6H10BrN.BrH/c7-3-1-4-8-5-2-6-8;/h1,3H,2,4-6H2;1H
InChIKeyOPXLUMHLTWUNED-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.97
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-but-2-enylazetidine
CID 544280
(E)-4-(azetidin-1-yl)but-2-en-1-ol
CID 177230653
1-[(E)-4-methoxybut-2-enyl]pyrrolidine
CID 176557900
(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
CID 168863072
1-[(E)-5-methylhex-2-enyl]piperidine
CID 59434725
1-[(Z)-but-2-enyl]aziridine
CID 5362970
1-[(E)-but-2-enyl]aziridine
CID 5362969
(E)-5-piperidin-1-ylpent-3-en-2-ol
CID 155350600
(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
CID 126491189
1-prop-2-enyl(213C)azinane
CID 173137320
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
(E)-1-amino-5-pyrrolidin-1-ylpent-3-en-2-one
CID 144995702

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-2-enyl)azetidine;hydrobromide?
The IUPAC name of 1-(3-bromoprop-2-enyl)azetidine;hydrobromide (CID 75098598) is 1-(3-bromoprop-2-enyl)azetidine;hydrobromide.
What is the SMILES notation for 1-(3-bromoprop-2-enyl)azetidine;hydrobromide?
The canonical SMILES for 1-(3-bromoprop-2-enyl)azetidine;hydrobromide is Br.BrC=CCN1CCC1.
What is the InChIKey of 1-(3-bromoprop-2-enyl)azetidine;hydrobromide?
The InChIKey is OPXLUMHLTWUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN.BrH/c7-3-1-4-8-5-2-6-8;/h1,3H,2,4-6H2;1H.
What are the key properties of 1-(3-bromoprop-2-enyl)azetidine;hydrobromide?
1-(3-bromoprop-2-enyl)azetidine;hydrobromide has a molecular weight of 256.97 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-2-enyl)azetidine;hydrobromide is sourced from PubChem (CID 75098598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).