(2S)-2-ethenyl-3-propylazetidine

C8H15N — CID 163677738

IUPAC(2S)-2-ethenyl-3-propylazetidine
SMILESC=C[C@@H]1NCC1CCC
InChIInChI=1S/C8H15N/c1-3-5-7-6-9-8(7)4-2/h4,7-9H,2-3,5-6H2,1H3/t7?,8-/m0/s1
InChIKeyJIDXPYXBXACNKP-MQWKRIRWSA-N
MW125.22 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-ethenyl-3-propylazetidine

(2S)-2-ethenyl-3-propylazetidine (PubChem CID 163677738) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2S)-2-ethenyl-3-propylazetidine.

Molecular Properties

Compound Name(2S)-2-ethenyl-3-propylazetidine
PubChem CID163677738
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2S)-2-ethenyl-3-propylazetidine
SMILESC=C[C@@H]1NCC1CCC
InChIInChI=1S/C8H15N/c1-3-5-7-6-9-8(7)4-2/h4,7-9H,2-3,5-6H2,1H3/t7?,8-/m0/s1
InChIKeyJIDXPYXBXACNKP-MQWKRIRWSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
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 (2S)-2-ethenyl-3-propylazetidine?
The IUPAC name of (2S)-2-ethenyl-3-propylazetidine (CID 163677738) is (2S)-2-ethenyl-3-propylazetidine.
What is the SMILES notation for (2S)-2-ethenyl-3-propylazetidine?
The canonical SMILES for (2S)-2-ethenyl-3-propylazetidine is C=C[C@@H]1NCC1CCC.
What is the InChIKey of (2S)-2-ethenyl-3-propylazetidine?
The InChIKey is JIDXPYXBXACNKP-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-7-6-9-8(7)4-2/h4,7-9H,2-3,5-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-ethenyl-3-propylazetidine?
(2S)-2-ethenyl-3-propylazetidine has a molecular weight of 125.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-3-propylazetidine is sourced from PubChem (CID 163677738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).