[1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol

C14H25NO — CID 86806698

IUPAC[1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol
SMILESCCC1(CO)CCCN1CC1CC=CCC1
InChIInChI=1S/C14H25NO/c1-2-14(12-16)9-6-10-15(14)11-13-7-4-3-5-8-13/h3-4,13,16H,2,5-12H2,1H3
InChIKeyOOUXLKWQIKSLMV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds4

About [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol

[1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol (PubChem CID 86806698) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol
PubChem CID86806698
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol
SMILESCCC1(CO)CCCN1CC1CC=CCC1
InChIInChI=1S/C14H25NO/c1-2-14(12-16)9-6-10-15(14)11-13-7-4-3-5-8-13/h3-4,13,16H,2,5-12H2,1H3
InChIKeyOOUXLKWQIKSLMV-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol (CID 86806698) is [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol is CCC1(CO)CCCN1CC1CC=CCC1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol?
The InChIKey is OOUXLKWQIKSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-14(12-16)9-6-10-15(14)11-13-7-4-3-5-8-13/h3-4,13,16H,2,5-12H2,1H3.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol?
[1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-en-1-ylmethyl)-2-ethylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 86806698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).