1-prop-2-enyl(513C)azolidine

C7H13N — CID 173137349

IUPAC1-prop-2-enyl(513C)azolidine
SMILESC=CCN1CCC[13CH2]1
InChIInChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h2H,1,3-7H2/i6+1
InChIKeyYZBVIYJNUQVTTQ-PTQBSOBMSA-N
MW112.18 g/mol
LogP1.27
Rot. Bonds2

About 1-prop-2-enyl(513C)azolidine

1-prop-2-enyl(513C)azolidine (PubChem CID 173137349) has the molecular formula C7H13N and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-prop-2-enyl(513C)azolidine.

Molecular Properties

Compound Name1-prop-2-enyl(513C)azolidine
PubChem CID173137349
Molecular FormulaC7H13N
Molecular Weight112.18 g/mol
Exact Mass112.11
IUPAC Name1-prop-2-enyl(513C)azolidine
SMILESC=CCN1CCC[13CH2]1
InChIInChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h2H,1,3-7H2/i6+1
InChIKeyYZBVIYJNUQVTTQ-PTQBSOBMSA-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 ≤ 500112.18
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-(3-Butenyl)pyrrolidine
CID 250707
Pyrrolidine, 1-(2-propenyl)-
CID 558434
Crotylpyrrolidine
CID 558582
1-(Prop-2-en-1-yl)pyrrolidine-2-thione
CID 12678663
N,N-diallylpyrrolidinium bromide
CID 15812374
1-Allyl-1-methylpyrrolidinium chloride
CID 20062952
1-Buta-2,3-dienylpyrrolidine
CID 57191198
1-[(2z)-3-Chloroprop-2-en-1-yl] pyrrolidine
CID 88189110
3,3,4,4-Tetrafluoro-1-prop-2-enylpyrrolidine
CID 58361966
1-(1-Fluoroprop-2-enyl)pyrrolidine
CID 68636995
2-Fluoro-1-prop-2-enylpyrrolidine
CID 68636996
1-(3-Fluoroprop-2-enyl)pyrrolidine
CID 68636999

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl(513C)azolidine?
The IUPAC name of 1-prop-2-enyl(513C)azolidine (CID 173137349) is 1-prop-2-enyl(513C)azolidine.
What is the SMILES notation for 1-prop-2-enyl(513C)azolidine?
The canonical SMILES for 1-prop-2-enyl(513C)azolidine is C=CCN1CCC[13CH2]1.
What is the InChIKey of 1-prop-2-enyl(513C)azolidine?
The InChIKey is YZBVIYJNUQVTTQ-PTQBSOBMSA-N. The full InChI is InChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h2H,1,3-7H2/i6+1.
What are the key properties of 1-prop-2-enyl(513C)azolidine?
1-prop-2-enyl(513C)azolidine has a molecular weight of 112.18 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 1-prop-2-enyl(513C)azolidine is sourced from PubChem (CID 173137349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).