1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol

C24H49NO2 — CID 142966055

IUPAC1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
SMILESC.C=C/C=C(\C=C/C)CCO.CC.CC.OC1CCN(C2CCCCC2)C1
InChIInChI=1S/C10H19NO.C9H14O.2C2H6.CH4/c12-10-6-7-11(8-10)9-4-2-1-3-5-9;1-3-5-9(6-4-2)7-8-10;2*1-2;/h9-10,12H,1-8H2;3-6,10H,1,7-8H2,2H3;2*1-2H3;1H4/b;6-4-,9-5+;;;
InChIKeyNBIFSKJWXCTCEW-ULQWHUEYSA-N
MW383.66 g/mol
LogP6.13
Rot. Bonds5

About 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol

1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol (PubChem CID 142966055) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
PubChem CID142966055
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Name1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
SMILESC.C=C/C=C(\C=C/C)CCO.CC.CC.OC1CCN(C2CCCCC2)C1
InChIInChI=1S/C10H19NO.C9H14O.2C2H6.CH4/c12-10-6-7-11(8-10)9-4-2-1-3-5-9;1-3-5-9(6-4-2)7-8-10;2*1-2;/h9-10,12H,1-8H2;3-6,10H,1,7-8H2,2H3;2*1-2H3;1H4/b;6-4-,9-5+;;;
InChIKeyNBIFSKJWXCTCEW-ULQWHUEYSA-N
XLogP6.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(1S,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexyl]pyrrolidin-3-ol
CID 126658664
(3R)-1-[(1S,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexyl]pyrrolidin-3-ol
CID 126658737
(3S)-1-[(1S,2R)-2-[(3Z,4Z,6Z)-3-ethylideneocta-4,6-dienoxy]cyclohexyl]pyrrolidin-3-ol
CID 126658762
(3S)-1-[(1R,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexyl]pyrrolidin-3-ol
CID 126658786
(3R)-1-[(1R,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexyl]pyrrolidin-3-ol
CID 126658787
1-Cyclohepta-1,3,5-trien-1-yl-2-pyrrolidin-1-ylpropan-1-ol;ethane
CID 142823073
(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane
CID 142965093
(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane
CID 142965101
N-heptyl-N-methylcyclohexanamine;(4Z,6Z)-nona-4,6-dien-2-ol;hydrate
CID 144314826
ethane;5-ethenyl-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrrolidin-3-ol
CID 145395497
1-Cyclohexylpyrrolidin-3-ol;2-ethylcyclohexa-1,3-diene;uranium(2+)
CID 164118920
1-(1-Cyclohexa-1,5-dien-1-ylpropan-2-yl)pyrrolidin-3-ol
CID 175415278

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
The IUPAC name of 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol (CID 142966055) is 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol.
What is the SMILES notation for 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
The canonical SMILES for 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol is C.C=C/C=C(\C=C/C)CCO.CC.CC.OC1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
The InChIKey is NBIFSKJWXCTCEW-ULQWHUEYSA-N. The full InChI is InChI=1S/C10H19NO.C9H14O.2C2H6.CH4/c12-10-6-7-11(8-10)9-4-2-1-3-5-9;1-3-5-9(6-4-2)7-8-10;2*1-2;/h9-10,12H,1-8H2;3-6,10H,1,7-8H2,2H3;2*1-2H3;1H4/b;6-4-,9-5+;;;.
What are the key properties of 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol has a molecular weight of 383.66 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidin-3-ol;ethane;methane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol is sourced from PubChem (CID 142966055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).