1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole

C12H21N — CID 170235276

IUPAC1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole
SMILESCC1=C(C)CN(C2CCCCC2)C1
InChIInChI=1S/C12H21N/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKeyFNSLZBLOWCRMQW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.97
Rot. Bonds1

About 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole

1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole (PubChem CID 170235276) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole
PubChem CID170235276
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole
SMILESCC1=C(C)CN(C2CCCCC2)C1
InChIInChI=1S/C12H21N/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKeyFNSLZBLOWCRMQW-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole (CID 170235276) is 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole is CC1=C(C)CN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole?
The InChIKey is FNSLZBLOWCRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole?
1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole has a molecular weight of 179.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 170235276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).