2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol

C14H25NO — CID 114339502

IUPAC2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESC=C(C)CN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H25NO/c1-11(2)10-15-9-5-7-13(15)12-6-3-4-8-14(12)16/h12-14,16H,1,3-10H2,2H3
InChIKeyJUMLNXMLZNEZII-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds3

About 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339502) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339502
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESC=C(C)CN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H25NO/c1-11(2)10-15-9-5-7-13(15)12-6-3-4-8-14(12)16/h12-14,16H,1,3-10H2,2H3
InChIKeyJUMLNXMLZNEZII-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
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 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339502) is 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol is C=C(C)CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is JUMLNXMLZNEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)10-15-9-5-7-13(15)12-6-3-4-8-14(12)16/h12-14,16H,1,3-10H2,2H3.
What are the key properties of 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).