1-cyclohexa-2,4-dien-1-ylazetidine

C9H13N — CID 141359473

IUPAC1-cyclohexa-2,4-dien-1-ylazetidine
SMILESC1=CCC(N2CCC2)C=C1
InChIInChI=1S/C9H13N/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5,9H,4,6-8H2
InChIKeyICVKSPGHKGFZBM-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.58
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-ylazetidine

1-cyclohexa-2,4-dien-1-ylazetidine (PubChem CID 141359473) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-ylazetidine.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-ylazetidine
PubChem CID141359473
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-cyclohexa-2,4-dien-1-ylazetidine
SMILESC1=CCC(N2CCC2)C=C1
InChIInChI=1S/C9H13N/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5,9H,4,6-8H2
InChIKeyICVKSPGHKGFZBM-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-cyclohexa-2,4-dien-1-yl]-3-fluoroazetidine
CID 124639729
1-[(1S)-cyclohexa-2,4-dien-1-yl]-3-fluoroazetidine
CID 124639730
N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 19827274
1-Methyl-2-prop-1-enylazetidine
CID 54393562
1,2-bis(prop-2-enyl)-2H-pyridine
CID 67802553
N,N-dibutylcyclohexa-2,4-dien-1-amine
CID 68070600
N-butyl-N-methylcyclohexa-2,4-dien-1-amine
CID 68265913
(1R)-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 89320793
N-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 89354848
8-Methyl-1-azabicyclo[4.2.0]octa-2,4-diene
CID 89771195
1-ethyl-2-methyl-3,6-dihydro-2H-pyridine
CID 91054480
1,2,6-trimethyl-3,6-dihydro-2H-pyridine
CID 91995265

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-ylazetidine?
The IUPAC name of 1-cyclohexa-2,4-dien-1-ylazetidine (CID 141359473) is 1-cyclohexa-2,4-dien-1-ylazetidine.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-ylazetidine?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-ylazetidine is C1=CCC(N2CCC2)C=C1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-ylazetidine?
The InChIKey is ICVKSPGHKGFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5,9H,4,6-8H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-ylazetidine?
1-cyclohexa-2,4-dien-1-ylazetidine has a molecular weight of 135.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-ylazetidine is sourced from PubChem (CID 141359473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).