3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine

C10H15N — CID 134534963

IUPAC3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine
SMILESC=C/C=C(\C=C)CC1CNC1
InChIInChI=1S/C10H15N/c1-3-5-9(4-2)6-10-7-11-8-10/h3-5,10-11H,1-2,6-8H2/b9-5+
InChIKeyBUFOMUULJBBMEL-WEVVVXLNSA-N
MW149.24 g/mol
LogP1.89
Rot. Bonds4

About 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine

3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine (PubChem CID 134534963) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine.

Molecular Properties

Compound Name3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine
PubChem CID134534963
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine
SMILESC=C/C=C(\C=C)CC1CNC1
InChIInChI=1S/C10H15N/c1-3-5-9(4-2)6-10-7-11-8-10/h3-5,10-11H,1-2,6-8H2/b9-5+
InChIKeyBUFOMUULJBBMEL-WEVVVXLNSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
CID 138638612
3-[(3Z)-1-fluoro-2-methylidenehexa-3,5-dienyl]azetidine
CID 138639931
3-[(2E)-1-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidine
CID 138639933
3-(5-Fluoro-6-methyl-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)azetidine
CID 156184421
3-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]azetidine
CID 166468940
3-[(3Z)-3-ethenyl-1-fluorohexa-3,5-dienyl]azetidine
CID 115058334
3-[(3Z)-3-ethenyl-1,1-difluorohexa-3,5-dienyl]azetidine
CID 115058335
3-(2-Fluorocyclohexa-1,3-dien-1-yl)azetidine
CID 166469207
3-cyclopenta-2,4-dien-1-yl-N-methylpropan-1-amine
CID 15325533
3-[(4Z)-2-methylhexa-2,4-dien-3-yl]azetidine
CID 58547042
3-[(E,3S)-hept-4-en-3-yl]azetidine
CID 68168886
3-[(E)-hept-4-en-3-yl]azetidine
CID 68168901

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine?
The IUPAC name of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine (CID 134534963) is 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine.
What is the SMILES notation for 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine?
The canonical SMILES for 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine is C=C/C=C(\C=C)CC1CNC1.
What is the InChIKey of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine?
The InChIKey is BUFOMUULJBBMEL-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-9(4-2)6-10-7-11-8-10/h3-5,10-11H,1-2,6-8H2/b9-5+.
What are the key properties of 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine?
3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine has a molecular weight of 149.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-ethenylpenta-2,4-dienyl]azetidine is sourced from PubChem (CID 134534963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).