2-buta-1,3-dien-2-ylazetidine

C7H11N — CID 143075813

IUPAC2-buta-1,3-dien-2-ylazetidine
SMILESC=CC(=C)C1CCN1
InChIInChI=1S/C7H11N/c1-3-6(2)7-4-5-8-7/h3,7-8H,1-2,4-5H2
InChIKeyGSRPXWKCMQZIPH-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.09
Rot. Bonds2

About 2-buta-1,3-dien-2-ylazetidine

2-buta-1,3-dien-2-ylazetidine (PubChem CID 143075813) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-ylazetidine.

Molecular Properties

Compound Name2-buta-1,3-dien-2-ylazetidine
PubChem CID143075813
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-buta-1,3-dien-2-ylazetidine
SMILESC=CC(=C)C1CCN1
InChIInChI=1S/C7H11N/c1-3-6(2)7-4-5-8-7/h3,7-8H,1-2,4-5H2
InChIKeyGSRPXWKCMQZIPH-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.09
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

1-piperidin-2-ylprop-2-en-1-one
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2-[(3Z)-4-chlorohexa-1,3,5-trien-3-yl]pyrrolidine
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ethane;2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyrrolidine
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(2S)-2-[(3E,5E)-4-chloro-5-fluorohepta-1,3,5-trien-2-yl]piperidine
CID 175631411
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
4-prop-2-enylpiperidine-2-carboxylic acid
CID 70583739
(2S)-2-[(3E,5Z)-6-chloro-4,5-difluorohepta-1,3,5-trien-2-yl]piperidine
CID 175629680
ethane;(2S)-2-prop-1-en-2-ylpyrrolidine
CID 142069631
2-methyl-4-(2-methylidenebut-3-enyl)azepane
CID 87132448
ethenyl pyrrolidine-2-carboxylate
CID 77217277
2-(azetidin-2-yl)but-2-enoic acid
CID 70487851
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-ylazetidine?
The IUPAC name of 2-buta-1,3-dien-2-ylazetidine (CID 143075813) is 2-buta-1,3-dien-2-ylazetidine.
What is the SMILES notation for 2-buta-1,3-dien-2-ylazetidine?
The canonical SMILES for 2-buta-1,3-dien-2-ylazetidine is C=CC(=C)C1CCN1.
What is the InChIKey of 2-buta-1,3-dien-2-ylazetidine?
The InChIKey is GSRPXWKCMQZIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-6(2)7-4-5-8-7/h3,7-8H,1-2,4-5H2.
What are the key properties of 2-buta-1,3-dien-2-ylazetidine?
2-buta-1,3-dien-2-ylazetidine has a molecular weight of 109.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-ylazetidine is sourced from PubChem (CID 143075813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).