1-methyl-3-[(E)-prop-1-enyl]azetidine

C7H13N — CID 171094994

IUPAC1-methyl-3-[(E)-prop-1-enyl]azetidine
SMILESC/C=C/C1CN(C)C1
InChIInChI=1S/C7H13N/c1-3-4-7-5-8(2)6-7/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyAWAIKHOUDAWECS-ONEGZZNKSA-N
MW111.19 g/mol
LogP1.12
Rot. Bonds1

About 1-methyl-3-[(E)-prop-1-enyl]azetidine

1-methyl-3-[(E)-prop-1-enyl]azetidine (PubChem CID 171094994) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-methyl-3-[(E)-prop-1-enyl]azetidine.

Molecular Properties

Compound Name1-methyl-3-[(E)-prop-1-enyl]azetidine
PubChem CID171094994
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-methyl-3-[(E)-prop-1-enyl]azetidine
SMILESC/C=C/C1CN(C)C1
InChIInChI=1S/C7H13N/c1-3-4-7-5-8(2)6-7/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyAWAIKHOUDAWECS-ONEGZZNKSA-N
XLogP1.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.12
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-methyl-3-[(E)-prop-1-enyl]azetidine?
The IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]azetidine (CID 171094994) is 1-methyl-3-[(E)-prop-1-enyl]azetidine.
What is the SMILES notation for 1-methyl-3-[(E)-prop-1-enyl]azetidine?
The canonical SMILES for 1-methyl-3-[(E)-prop-1-enyl]azetidine is C/C=C/C1CN(C)C1.
What is the InChIKey of 1-methyl-3-[(E)-prop-1-enyl]azetidine?
The InChIKey is AWAIKHOUDAWECS-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-7-5-8(2)6-7/h3-4,7H,5-6H2,1-2H3/b4-3+.
What are the key properties of 1-methyl-3-[(E)-prop-1-enyl]azetidine?
1-methyl-3-[(E)-prop-1-enyl]azetidine has a molecular weight of 111.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-prop-1-enyl]azetidine is sourced from PubChem (CID 171094994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).