3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole

C14H21N — CID 89331378

IUPAC3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole
SMILESC=CC(CC1C=CNC1)[C@H]1C=CCCC1
InChIInChI=1S/C14H21N/c1-2-13(10-12-8-9-15-11-12)14-6-4-3-5-7-14/h2,4,6,8-9,12-15H,1,3,5,7,10-11H2/t12?,13?,14-/m0/s1
InChIKeyQHHHIKCRVNJDJV-RUXDESIVSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds4

About 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole

3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole (PubChem CID 89331378) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole
PubChem CID89331378
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole
SMILESC=CC(CC1C=CNC1)[C@H]1C=CCCC1
InChIInChI=1S/C14H21N/c1-2-13(10-12-8-9-15-11-12)14-6-4-3-5-7-14/h2,4,6,8-9,12-15H,1,3,5,7,10-11H2/t12?,13?,14-/m0/s1
InChIKeyQHHHIKCRVNJDJV-RUXDESIVSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.27
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 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole (CID 89331378) is 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole is C=CC(CC1C=CNC1)[C@H]1C=CCCC1.
What is the InChIKey of 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole?
The InChIKey is QHHHIKCRVNJDJV-RUXDESIVSA-N. The full InChI is InChI=1S/C14H21N/c1-2-13(10-12-8-9-15-11-12)14-6-4-3-5-7-14/h2,4,6,8-9,12-15H,1,3,5,7,10-11H2/t12?,13?,14-/m0/s1.
What are the key properties of 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole?
3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole has a molecular weight of 203.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-cyclohex-2-en-1-yl]but-3-enyl]-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 89331378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).