1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole

C15H23N — CID 98294882

IUPAC1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H23N/c1-10-4-5-11(2)16(10)12(3)15-9-13-6-7-14(15)8-13/h4-5,12-15H,6-9H2,1-3H3/t12-,13-,14-,15-/m0/s1
InChIKeyXFVUCGIBMBWHHB-AJNGGQMLSA-N
MW217.36 g/mol
LogP4.10
Rot. Bonds2

About 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole

1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole (PubChem CID 98294882) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
PubChem CID98294882
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H23N/c1-10-4-5-11(2)16(10)12(3)15-9-13-6-7-14(15)8-13/h4-5,12-15H,6-9H2,1-3H3/t12-,13-,14-,15-/m0/s1
InChIKeyXFVUCGIBMBWHHB-AJNGGQMLSA-N
XLogP4.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole with MolForge

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Related Compounds

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-1H-imidazole-2-thione
CID 81339497
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337023
6-amino-1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrimidine-2,4-dione
CID 98243165
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
CID 106557738
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one
CID 82212027
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
3-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 98700577
4-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
CID 98148543
4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-chloro-5-ethyl-1,2,4-triazole
CID 63384054
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
CID 43666180
4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 53356779
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 63502879

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole (CID 98294882) is 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole?
The InChIKey is XFVUCGIBMBWHHB-AJNGGQMLSA-N. The full InChI is InChI=1S/C15H23N/c1-10-4-5-11(2)16(10)12(3)15-9-13-6-7-14(15)8-13/h4-5,12-15H,6-9H2,1-3H3/t12-,13-,14-,15-/m0/s1.
What are the key properties of 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole?
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole has a molecular weight of 217.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 98294882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).