3-ethenyl-1-methyl-2-pentan-3-ylazetidine

C11H21N — CID 138528692

IUPAC3-ethenyl-1-methyl-2-pentan-3-ylazetidine
SMILESC=CC1CN(C)C1C(CC)CC
InChIInChI=1S/C11H21N/c1-5-9(6-2)11-10(7-3)8-12(11)4/h7,9-11H,3,5-6,8H2,1-2,4H3
InChIKeyQSNLSBNZGQNYIL-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.54
Rot. Bonds4

About 3-ethenyl-1-methyl-2-pentan-3-ylazetidine

3-ethenyl-1-methyl-2-pentan-3-ylazetidine (PubChem CID 138528692) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-2-pentan-3-ylazetidine.

Molecular Properties

Compound Name3-ethenyl-1-methyl-2-pentan-3-ylazetidine
PubChem CID138528692
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethenyl-1-methyl-2-pentan-3-ylazetidine
SMILESC=CC1CN(C)C1C(CC)CC
InChIInChI=1S/C11H21N/c1-5-9(6-2)11-10(7-3)8-12(11)4/h7,9-11H,3,5-6,8H2,1-2,4H3
InChIKeyQSNLSBNZGQNYIL-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-2-pentan-3-ylazetidine?
The IUPAC name of 3-ethenyl-1-methyl-2-pentan-3-ylazetidine (CID 138528692) is 3-ethenyl-1-methyl-2-pentan-3-ylazetidine.
What is the SMILES notation for 3-ethenyl-1-methyl-2-pentan-3-ylazetidine?
The canonical SMILES for 3-ethenyl-1-methyl-2-pentan-3-ylazetidine is C=CC1CN(C)C1C(CC)CC.
What is the InChIKey of 3-ethenyl-1-methyl-2-pentan-3-ylazetidine?
The InChIKey is QSNLSBNZGQNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9(6-2)11-10(7-3)8-12(11)4/h7,9-11H,3,5-6,8H2,1-2,4H3.
What are the key properties of 3-ethenyl-1-methyl-2-pentan-3-ylazetidine?
3-ethenyl-1-methyl-2-pentan-3-ylazetidine has a molecular weight of 167.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-2-pentan-3-ylazetidine is sourced from PubChem (CID 138528692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).