6-pyrrolidin-1-ylhept-6-en-1-ol

C11H21NO — CID 166712847

IUPAC6-pyrrolidin-1-ylhept-6-en-1-ol
SMILESC=C(CCCCCO)N1CCCC1
InChIInChI=1S/C11H21NO/c1-11(7-3-2-6-10-13)12-8-4-5-9-12/h13H,1-10H2
InChIKeyMFEXAIVAGWMUQR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.15
Rot. Bonds6

About 6-pyrrolidin-1-ylhept-6-en-1-ol

6-pyrrolidin-1-ylhept-6-en-1-ol (PubChem CID 166712847) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylhept-6-en-1-ol.

Molecular Properties

Compound Name6-pyrrolidin-1-ylhept-6-en-1-ol
PubChem CID166712847
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-pyrrolidin-1-ylhept-6-en-1-ol
SMILESC=C(CCCCCO)N1CCCC1
InChIInChI=1S/C11H21NO/c1-11(7-3-2-6-10-13)12-8-4-5-9-12/h13H,1-10H2
InChIKeyMFEXAIVAGWMUQR-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylhept-6-en-1-ol?
The IUPAC name of 6-pyrrolidin-1-ylhept-6-en-1-ol (CID 166712847) is 6-pyrrolidin-1-ylhept-6-en-1-ol.
What is the SMILES notation for 6-pyrrolidin-1-ylhept-6-en-1-ol?
The canonical SMILES for 6-pyrrolidin-1-ylhept-6-en-1-ol is C=C(CCCCCO)N1CCCC1.
What is the InChIKey of 6-pyrrolidin-1-ylhept-6-en-1-ol?
The InChIKey is MFEXAIVAGWMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(7-3-2-6-10-13)12-8-4-5-9-12/h13H,1-10H2.
What are the key properties of 6-pyrrolidin-1-ylhept-6-en-1-ol?
6-pyrrolidin-1-ylhept-6-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylhept-6-en-1-ol is sourced from PubChem (CID 166712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).