1-(3-methylbut-2-en-2-yl)azetidine

C8H15N — CID 155036778

IUPAC1-(3-methylbut-2-en-2-yl)azetidine
SMILESCC(C)=C(C)N1CCC1
InChIInChI=1S/C8H15N/c1-7(2)8(3)9-5-4-6-9/h4-6H2,1-3H3
InChIKeyITJRVDADHSOAMG-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.01
Rot. Bonds1

About 1-(3-methylbut-2-en-2-yl)azetidine

1-(3-methylbut-2-en-2-yl)azetidine (PubChem CID 155036778) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yl)azetidine.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yl)azetidine
PubChem CID155036778
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-(3-methylbut-2-en-2-yl)azetidine
SMILESCC(C)=C(C)N1CCC1
InChIInChI=1S/C8H15N/c1-7(2)8(3)9-5-4-6-9/h4-6H2,1-3H3
InChIKeyITJRVDADHSOAMG-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-(3-methylbut-2-en-2-yl)azetidine
CID 155036779
3-Fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine
CID 166972880
1-Propan-2-yl-3-propan-2-ylideneazetidine
CID 22896259
N,3-dimethyl-N-propylbut-2-en-2-amine
CID 129106801
(4S)-1,2,4-trimethyl-3-azoniaspiro[2.3]hex-1-ene
CID 169854833
1-Tert-butyl-3-propan-2-ylideneazetidine
CID 176805104

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yl)azetidine?
The IUPAC name of 1-(3-methylbut-2-en-2-yl)azetidine (CID 155036778) is 1-(3-methylbut-2-en-2-yl)azetidine.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yl)azetidine?
The canonical SMILES for 1-(3-methylbut-2-en-2-yl)azetidine is CC(C)=C(C)N1CCC1.
What is the InChIKey of 1-(3-methylbut-2-en-2-yl)azetidine?
The InChIKey is ITJRVDADHSOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8(3)9-5-4-6-9/h4-6H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-en-2-yl)azetidine?
1-(3-methylbut-2-en-2-yl)azetidine has a molecular weight of 125.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yl)azetidine is sourced from PubChem (CID 155036778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).