3-methylidene-1-propan-2-ylazetidine

C7H13N — CID 21064037

IUPAC3-methylidene-1-propan-2-ylazetidine
SMILESC=C1CN(C(C)C)C1
InChIInChI=1S/C7H13N/c1-6(2)8-4-7(3)5-8/h6H,3-5H2,1-2H3
InChIKeyGCMSYRWKEFPPET-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds1

About 3-methylidene-1-propan-2-ylazetidine

3-methylidene-1-propan-2-ylazetidine (PubChem CID 21064037) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methylidene-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-methylidene-1-propan-2-ylazetidine
PubChem CID21064037
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methylidene-1-propan-2-ylazetidine
SMILESC=C1CN(C(C)C)C1
InChIInChI=1S/C7H13N/c1-6(2)8-4-7(3)5-8/h6H,3-5H2,1-2H3
InChIKeyGCMSYRWKEFPPET-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylallyl)azetidine
CID 550700
1-(3-Methylbut-2-enyl)azetidine
CID 12466291
1-Methyl-3-methylideneazetidine
CID 17935292
1-Propan-2-yl-3-propan-2-ylideneazetidine
CID 22896259
1,2,4-Trimethyl-3-methylideneazetidine
CID 54025095
1-Ethyl-3-methylideneazetidine
CID 57775986
1-Tert-butyl-3-methylideneazetidine
CID 58311563
3-methyl-1-propan-2-yl-2H-azete
CID 66910848
3-Ethylidene-1-propylazetidine
CID 139336339
1-Butyl-3-methylideneazetidine
CID 139336487
3-Methylidene-1-propylazetidine
CID 143466104
1-Tert-butyl-3-methylideneazetidine;ethane
CID 158494649

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-propan-2-ylazetidine?
The IUPAC name of 3-methylidene-1-propan-2-ylazetidine (CID 21064037) is 3-methylidene-1-propan-2-ylazetidine.
What is the SMILES notation for 3-methylidene-1-propan-2-ylazetidine?
The canonical SMILES for 3-methylidene-1-propan-2-ylazetidine is C=C1CN(C(C)C)C1.
What is the InChIKey of 3-methylidene-1-propan-2-ylazetidine?
The InChIKey is GCMSYRWKEFPPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)8-4-7(3)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-1-propan-2-ylazetidine?
3-methylidene-1-propan-2-ylazetidine has a molecular weight of 111.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propan-2-ylazetidine is sourced from PubChem (CID 21064037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).