3-methyl-1-prop-2-enylazetidine

C7H13N — CID 167204485

IUPAC3-methyl-1-prop-2-enylazetidine
SMILESC=CCN1CC(C)C1
InChIInChI=1S/C7H13N/c1-3-4-8-5-7(2)6-8/h3,7H,1,4-6H2,2H3
InChIKeyMIQORPDRIGPQJI-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.12
Rot. Bonds2

About 3-methyl-1-prop-2-enylazetidine

3-methyl-1-prop-2-enylazetidine (PubChem CID 167204485) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enylazetidine.

Molecular Properties

Compound Name3-methyl-1-prop-2-enylazetidine
PubChem CID167204485
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methyl-1-prop-2-enylazetidine
SMILESC=CCN1CC(C)C1
InChIInChI=1S/C7H13N/c1-3-4-8-5-7(2)6-8/h3,7H,1,4-6H2,2H3
InChIKeyMIQORPDRIGPQJI-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Allylazetidine
CID 534362
1-(2-Methylallyl)azetidine
CID 550700
1-But-2-enyl-3-fluoroazetidine
CID 175815484
1-But-2-enylazetidine
CID 5364796
3-(Difluoromethyl)-1-prop-2-enylazetidine
CID 130659064
1-Prop-2-enyl-3-(trifluoromethyl)azetidine
CID 131108091
1-[(E)-but-2-enyl]-3-fluoroazetidine
CID 172368891
1-(But-2-en-1-yl)azetidine
CID 544280
1-(3-Methylbut-2-enyl)azetidine
CID 12466291
1-Ethyl-3-methylideneazetidine
CID 57775986
1-[(E)-but-2-enyl]-3-methylazetidine
CID 89888329
1-Methyl-1-prop-2-enylazetidin-1-ium
CID 123685972

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enylazetidine?
The IUPAC name of 3-methyl-1-prop-2-enylazetidine (CID 167204485) is 3-methyl-1-prop-2-enylazetidine.
What is the SMILES notation for 3-methyl-1-prop-2-enylazetidine?
The canonical SMILES for 3-methyl-1-prop-2-enylazetidine is C=CCN1CC(C)C1.
What is the InChIKey of 3-methyl-1-prop-2-enylazetidine?
The InChIKey is MIQORPDRIGPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-8-5-7(2)6-8/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enylazetidine?
3-methyl-1-prop-2-enylazetidine has a molecular weight of 111.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enylazetidine is sourced from PubChem (CID 167204485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).