1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine

C11H17N — CID 166653897

IUPAC1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine
SMILESCC1CCN1[C@H]1C=C=CCCC1
InChIInChI=1S/C11H17N/c1-10-8-9-12(10)11-6-4-2-3-5-7-11/h2,6,10-11H,3,5,7-9H2,1H3/t10?,11-/m0/s1
InChIKeyHOQTXCARIJHBIA-DTIOYNMSSA-N
MW163.26 g/mol
LogP2.34
Rot. Bonds1

About 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine

1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine (PubChem CID 166653897) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine.

Molecular Properties

Compound Name1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine
PubChem CID166653897
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine
SMILESCC1CCN1[C@H]1C=C=CCCC1
InChIInChI=1S/C11H17N/c1-10-8-9-12(10)11-6-4-2-3-5-7-11/h2,6,10-11H,3,5,7-9H2,1H3/t10?,11-/m0/s1
InChIKeyHOQTXCARIJHBIA-DTIOYNMSSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine?
The IUPAC name of 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine (CID 166653897) is 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine.
What is the SMILES notation for 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine?
The canonical SMILES for 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine is CC1CCN1[C@H]1C=C=CCCC1.
What is the InChIKey of 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine?
The InChIKey is HOQTXCARIJHBIA-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H17N/c1-10-8-9-12(10)11-6-4-2-3-5-7-11/h2,6,10-11H,3,5,7-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine?
1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine has a molecular weight of 163.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohepta-2,3-dien-1-yl]-2-methylazetidine is sourced from PubChem (CID 166653897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).