3-methylidene-1-propylazetidine

C7H13N — CID 143466104

IUPAC3-methylidene-1-propylazetidine
SMILESC=C1CN(CCC)C1
InChIInChI=1S/C7H13N/c1-3-4-8-5-7(2)6-8/h2-6H2,1H3
InChIKeyLDTVOSQCDOKCRN-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds2

About 3-methylidene-1-propylazetidine

3-methylidene-1-propylazetidine (PubChem CID 143466104) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methylidene-1-propylazetidine.

Molecular Properties

Compound Name3-methylidene-1-propylazetidine
PubChem CID143466104
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methylidene-1-propylazetidine
SMILESC=C1CN(CCC)C1
InChIInChI=1S/C7H13N/c1-3-4-8-5-7(2)6-8/h2-6H2,1H3
InChIKeyLDTVOSQCDOKCRN-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.27
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-methylidene-1-propylazetidine?
The IUPAC name of 3-methylidene-1-propylazetidine (CID 143466104) is 3-methylidene-1-propylazetidine.
What is the SMILES notation for 3-methylidene-1-propylazetidine?
The canonical SMILES for 3-methylidene-1-propylazetidine is C=C1CN(CCC)C1.
What is the InChIKey of 3-methylidene-1-propylazetidine?
The InChIKey is LDTVOSQCDOKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-8-5-7(2)6-8/h2-6H2,1H3.
What are the key properties of 3-methylidene-1-propylazetidine?
3-methylidene-1-propylazetidine has a molecular weight of 111.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propylazetidine is sourced from PubChem (CID 143466104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).