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

C15H25NO — CID 2845239

IUPAC[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol
SMILESC=C(C)C1CC=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
InChIKeyFGWKUVQCXOEULL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds4

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

[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 2845239) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID2845239
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol
SMILESC=C(C)C1CC=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
InChIKeyFGWKUVQCXOEULL-UHFFFAOYSA-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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Related Compounds

(6Z,8S,8aS)-6-[(2R)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921284
(6Z,8S,8aS)-6-[(2S)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921285
Cambridge id 5414386
CID 3717985
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
2-(5-Fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol
CID 166944410
[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol
CID 40514543
[(4Z)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 178758820
(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 11138810
Qblqaaadgcoxdw-uhfffaoysa-
CID 21598216
[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 67960827
[1-(4-Methylcyclohexen-1-yl)pyrrolidin-2-yl]methanol
CID 68199937
[1-[(4S)-4-methylcyclohexen-1-yl]pyrrolidin-2-yl]methanol
CID 68213341

Frequently Asked Questions

What is the IUPAC name of [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol (CID 2845239) is [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol is C=C(C)C1CC=C(CN2CCCC2CO)CC1.
What is the InChIKey of [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FGWKUVQCXOEULL-UHFFFAOYSA-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.
What are the key properties of [1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(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-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 2845239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).