[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol

C14H25NO — CID 86805754

IUPAC[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC1=CCCC(C)C1CN1CCC(CO)C1
InChIInChI=1S/C14H25NO/c1-11-4-3-5-12(2)14(11)9-15-7-6-13(8-15)10-16/h4,12-14,16H,3,5-10H2,1-2H3
InChIKeyYLGDVAQFCQCMOB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.29
Rot. Bonds3

About [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol

[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 86805754) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID86805754
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC1=CCCC(C)C1CN1CCC(CO)C1
InChIInChI=1S/C14H25NO/c1-11-4-3-5-12(2)14(11)9-15-7-6-13(8-15)10-16/h4,12-14,16H,3,5-10H2,1-2H3
InChIKeyYLGDVAQFCQCMOB-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol (CID 86805754) is [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol is CC1=CCCC(C)C1CN1CCC(CO)C1.
What is the InChIKey of [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is YLGDVAQFCQCMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-4-3-5-12(2)14(11)9-15-7-6-13(8-15)10-16/h4,12-14,16H,3,5-10H2,1-2H3.
What are the key properties of [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol?
[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 86805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).