1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol

C13H21NO — CID 175841516

IUPAC1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol
SMILESCC1C=CC=CC1CCN1CCC(O)C1
InChIInChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)6-8-14-9-7-13(15)10-14/h2-5,11-13,15H,6-10H2,1H3
InChIKeyBVLMVQLIRXEZKA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol

1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol (PubChem CID 175841516) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol
PubChem CID175841516
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol
SMILESCC1C=CC=CC1CCN1CCC(O)C1
InChIInChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)6-8-14-9-7-13(15)10-14/h2-5,11-13,15H,6-10H2,1H3
InChIKeyBVLMVQLIRXEZKA-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol (CID 175841516) is 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol is CC1C=CC=CC1CCN1CCC(O)C1.
What is the InChIKey of 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is BVLMVQLIRXEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)6-8-14-9-7-13(15)10-14/h2-5,11-13,15H,6-10H2,1H3.
What are the key properties of 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol?
1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 207.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 175841516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).