[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol

C15H25NO — CID 23790468

IUPAC[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol
SMILESC=C(C)[C@H]1CC=C(CN2CCCC2CO)CC1
InChIInChI=1S/C15H25NO/c1-12(2)14-7-5-13(6-8-14)10-16-9-3-4-15(16)11-17/h5,14-15,17H,1,3-4,6-11H2,2H3/t14-,15?/m0/s1
InChIKeyFGWKUVQCXOEULL-MLCCFXAWSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds4

About [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 23790468) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID23790468
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol
SMILESC=C(C)[C@H]1CC=C(CN2CCCC2CO)CC1
InChIInChI=1S/C15H25NO/c1-12(2)14-7-5-13(6-8-14)10-16-9-3-4-15(16)11-17/h5,14-15,17H,1,3-4,6-11H2,2H3/t14-,15?/m0/s1
InChIKeyFGWKUVQCXOEULL-MLCCFXAWSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol (CID 23790468) is [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol is C=C(C)[C@H]1CC=C(CN2CCCC2CO)CC1.
What is the InChIKey of [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FGWKUVQCXOEULL-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)14-7-5-13(6-8-14)10-16-9-3-4-15(16)11-17/h5,14-15,17H,1,3-4,6-11H2,2H3/t14-,15?/m0/s1.
What are the key properties of [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 235.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 23790468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).