(1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol

C12H21NO — CID 102788070

IUPAC(1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol
SMILESCC1CCN(C2C=CCCC2)C1CO
InChIInChI=1S/C12H21NO/c1-10-7-8-13(12(10)9-14)11-5-3-2-4-6-11/h3,5,10-12,14H,2,4,6-9H2,1H3
InChIKeyHPMGULRLUYNVBB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds2

About (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol

(1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol (PubChem CID 102788070) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol
PubChem CID102788070
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol
SMILESCC1CCN(C2C=CCCC2)C1CO
InChIInChI=1S/C12H21NO/c1-10-7-8-13(12(10)9-14)11-5-3-2-4-6-11/h3,5,10-12,14H,2,4,6-9H2,1H3
InChIKeyHPMGULRLUYNVBB-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol (CID 102788070) is (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol is CC1CCN(C2C=CCCC2)C1CO.
What is the InChIKey of (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol?
The InChIKey is HPMGULRLUYNVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-7-8-13(12(10)9-14)11-5-3-2-4-6-11/h3,5,10-12,14H,2,4,6-9H2,1H3.
What are the key properties of (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol?
(1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohex-2-en-1-yl-3-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 102788070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).