(1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol

C12H21NO — CID 134863533

IUPAC(1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCC=C1N1CCCC1
InChIInChI=1S/C12H21NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h7,10-11,14H,2-6,8-9H2,1H3/t10-,11-/m1/s1
InChIKeyCONGQDKAVLUIMD-GHMZBOCLSA-N
MW195.31 g/mol
LogP2.15
Rot. Bonds2

About (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol

(1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol (PubChem CID 134863533) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol
PubChem CID134863533
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCC=C1N1CCCC1
InChIInChI=1S/C12H21NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h7,10-11,14H,2-6,8-9H2,1H3/t10-,11-/m1/s1
InChIKeyCONGQDKAVLUIMD-GHMZBOCLSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol?
The IUPAC name of (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol (CID 134863533) is (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol?
The canonical SMILES for (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol is C[C@@H](O)[C@H]1CCCC=C1N1CCCC1.
What is the InChIKey of (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol?
The InChIKey is CONGQDKAVLUIMD-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h7,10-11,14H,2-6,8-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol?
(1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol has a molecular weight of 195.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-2-pyrrolidin-1-ylcyclohex-2-en-1-yl]ethanol is sourced from PubChem (CID 134863533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).