cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate

C16H35NO2 — CID 143016893

IUPACcyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate
SMILESC.C/C=C/C1CCCN1C.O.OCC1CCCCC1
InChIInChI=1S/C8H15N.C7H14O.CH4.H2O/c1-3-5-8-6-4-7-9(8)2;8-6-7-4-2-1-3-5-7;;/h3,5,8H,4,6-7H2,1-2H3;7-8H,1-6H2;1H4;1H2/b5-3+;;;
InChIKeyIFUWICKKFRDLLU-PTPDRMABSA-N
MW273.46 g/mol
LogP3.03
Rot. Bonds2

About cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate

cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate (PubChem CID 143016893) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate.

Molecular Properties

Compound Namecyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate
PubChem CID143016893
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Namecyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate
SMILESC.C/C=C/C1CCCN1C.O.OCC1CCCCC1
InChIInChI=1S/C8H15N.C7H14O.CH4.H2O/c1-3-5-8-6-4-7-9(8)2;8-6-7-4-2-1-3-5-7;;/h3,5,8H,4,6-7H2,1-2H3;7-8H,1-6H2;1H4;1H2/b5-3+;;;
InChIKeyIFUWICKKFRDLLU-PTPDRMABSA-N
XLogP3.03
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.03
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

Cyclohexyl-[methyl-[1-(4-methylcyclohex-3-en-1-yl)pyrrolidin-3-yl]amino]methanol
CID 69627143
1-(4-Methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol
CID 123166315
(E,3S,4S)-1-[(2R)-1-(7-hydroxyheptyl)pyrrolidin-2-yl]-4-methylnon-1-en-6-yn-3-ol
CID 141415995
3-[(5R,8R,8aS)-8-methyl-1,2,3,5,8,8a-hexahydroindolizin-5-yl]propan-1-ol
CID 10584018
3-[1-(Cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 109931165
1-[1-(Cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 109934218
2-(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol
CID 114620908
2-(Cyclohexylmethyl)-1-methyl-5-nona-3,5,7-trienylpyrrolidin-3-ol
CID 163072721
(3S,5R)-2-(cyclohexylmethyl)-1-methyl-5-[(3E,5E,7E)-nona-3,5,7-trienyl]pyrrolidin-3-ol
CID 163072722

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate?
The IUPAC name of cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate (CID 143016893) is cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate.
What is the SMILES notation for cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate?
The canonical SMILES for cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate is C.C/C=C/C1CCCN1C.O.OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate?
The InChIKey is IFUWICKKFRDLLU-PTPDRMABSA-N. The full InChI is InChI=1S/C8H15N.C7H14O.CH4.H2O/c1-3-5-8-6-4-7-9(8)2;8-6-7-4-2-1-3-5-7;;/h3,5,8H,4,6-7H2,1-2H3;7-8H,1-6H2;1H4;1H2/b5-3+;;;.
What are the key properties of cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate?
cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate has a molecular weight of 273.46 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate is sourced from PubChem (CID 143016893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).