cyclohexen-1-yl(pyrrolidin-2-yl)methanol

C11H19NO — CID 106651722

IUPACcyclohexen-1-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1=CCCCC1)C1CCCN1
InChIInChI=1S/C11H19NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h5,10-13H,1-4,6-8H2
InChIKeyJXUFWMPCRGKRBA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds2

About cyclohexen-1-yl(pyrrolidin-2-yl)methanol

cyclohexen-1-yl(pyrrolidin-2-yl)methanol (PubChem CID 106651722) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclohexen-1-yl(pyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl(pyrrolidin-2-yl)methanol
PubChem CID106651722
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclohexen-1-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1=CCCCC1)C1CCCN1
InChIInChI=1S/C11H19NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h5,10-13H,1-4,6-8H2
InChIKeyJXUFWMPCRGKRBA-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
(E)-1-pyrrolidin-2-yloctadec-4-ene-1,3-diol
CID 58730213
(E)-1-pyrrolidin-2-ylhexadec-4-ene-1,3-diol
CID 60028750
1-Pyrrolidin-2-yloctadec-4-ene-1,3-diol
CID 72404488
1-Pyrrolidin-2-ylhexadec-4-ene-1,3-diol
CID 72626444
[5-[(4-Aminocyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
CID 123158820
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 155010717
8-Azabicyclo[3.2.1]oct-3-en-2-ol
CID 164122365
2-ethyl-5-(propan-2-ylamino)-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-ol
CID 177955420
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
CID 3037388
1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethanol
CID 14408189
cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24937779

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(pyrrolidin-2-yl)methanol?
The IUPAC name of cyclohexen-1-yl(pyrrolidin-2-yl)methanol (CID 106651722) is cyclohexen-1-yl(pyrrolidin-2-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl(pyrrolidin-2-yl)methanol?
The canonical SMILES for cyclohexen-1-yl(pyrrolidin-2-yl)methanol is OC(C1=CCCCC1)C1CCCN1.
What is the InChIKey of cyclohexen-1-yl(pyrrolidin-2-yl)methanol?
The InChIKey is JXUFWMPCRGKRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h5,10-13H,1-4,6-8H2.
What are the key properties of cyclohexen-1-yl(pyrrolidin-2-yl)methanol?
cyclohexen-1-yl(pyrrolidin-2-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(pyrrolidin-2-yl)methanol is sourced from PubChem (CID 106651722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).