1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine

C13H23N — CID 129226807

IUPAC1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine
SMILESC=C(CC)N1CC(C)(C(=C)CCC)C1
InChIInChI=1S/C13H23N/c1-6-8-11(3)13(5)9-14(10-13)12(4)7-2/h3-4,6-10H2,1-2,5H3
InChIKeyVHHZOUSBKIYDPV-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds5

About 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine

1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine (PubChem CID 129226807) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine
PubChem CID129226807
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine
SMILESC=C(CC)N1CC(C)(C(=C)CCC)C1
InChIInChI=1S/C13H23N/c1-6-8-11(3)13(5)9-14(10-13)12(4)7-2/h3-4,6-10H2,1-2,5H3
InChIKeyVHHZOUSBKIYDPV-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
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 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine?
The IUPAC name of 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine (CID 129226807) is 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine.
What is the SMILES notation for 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine?
The canonical SMILES for 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine is C=C(CC)N1CC(C)(C(=C)CCC)C1.
What is the InChIKey of 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine?
The InChIKey is VHHZOUSBKIYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-11(3)13(5)9-14(10-13)12(4)7-2/h3-4,6-10H2,1-2,5H3.
What are the key properties of 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine?
1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-methyl-3-pent-1-en-2-ylazetidine is sourced from PubChem (CID 129226807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).