[(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol

C12H19NO — CID 101013946

IUPAC[(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol
SMILESC[C@@H](C1C=CC=C1)N1CCC[C@H]1CO
InChIInChI=1S/C12H19NO/c1-10(11-5-2-3-6-11)13-8-4-7-12(13)9-14/h2-3,5-6,10-12,14H,4,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyJHYQGNFTUBWTIS-JQWIXIFHSA-N
MW193.29 g/mol
LogP1.57
Rot. Bonds3

About [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol (PubChem CID 101013946) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol
PubChem CID101013946
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol
SMILESC[C@@H](C1C=CC=C1)N1CCC[C@H]1CO
InChIInChI=1S/C12H19NO/c1-10(11-5-2-3-6-11)13-8-4-7-12(13)9-14/h2-3,5-6,10-12,14H,4,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyJHYQGNFTUBWTIS-JQWIXIFHSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol (CID 101013946) is [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol is C[C@@H](C1C=CC=C1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is JHYQGNFTUBWTIS-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(11-5-2-3-6-11)13-8-4-7-12(13)9-14/h2-3,5-6,10-12,14H,4,7-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 193.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1S)-1-cyclopenta-2,4-dien-1-ylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 101013946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).