1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole

C14H19N — CID 175362823

IUPAC1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
SMILESCC[C@]1(n2c(C)ccc2C)C=CC=CC1
InChIInChI=1S/C14H19N/c1-4-14(10-6-5-7-11-14)15-12(2)8-9-13(15)3/h5-10H,4,11H2,1-3H3/t14-/m0/s1
InChIKeyJSBDMTXCRGHIFQ-AWEZNQCLSA-N
MW201.31 g/mol
LogP3.73
Rot. Bonds2

About 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole

1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole (PubChem CID 175362823) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
PubChem CID175362823
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
SMILESCC[C@]1(n2c(C)ccc2C)C=CC=CC1
InChIInChI=1S/C14H19N/c1-4-14(10-6-5-7-11-14)15-12(2)8-9-13(15)3/h5-10H,4,11H2,1-3H3/t14-/m0/s1
InChIKeyJSBDMTXCRGHIFQ-AWEZNQCLSA-N
XLogP3.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
CID 174811498
2-[(1S)-1-ethylcyclohexa-2,4-dien-1-yl]-6-oxa-2-azabicyclo[3.2.1]octan-7-one
CID 175524971
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
CID 151274526
2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
CID 141230573
(1R)-1-ethylcyclohexa-2,4-dien-1-amine
CID 44624339
5-ethyl-5-iodocyclohexa-1,3-diene
CID 70550002
methyl (1S)-2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-7-fluoro-6-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 175542932
2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
CID 175474100
1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
CID 7036282
(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 66989053

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole (CID 175362823) is 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole is CC[C@]1(n2c(C)ccc2C)C=CC=CC1.
What is the InChIKey of 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole?
The InChIKey is JSBDMTXCRGHIFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N/c1-4-14(10-6-5-7-11-14)15-12(2)8-9-13(15)3/h5-10H,4,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole?
1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole is sourced from PubChem (CID 175362823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).