(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol

C11H21NO — CID 129142659

IUPAC(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol
SMILESCC(C)C(O)/C=C/CN1CCCC1
InChIInChI=1S/C11H21NO/c1-10(2)11(13)6-5-9-12-7-3-4-8-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3/b6-5+
InChIKeyXWNUGZZGTUAQBG-AATRIKPKSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds4

About (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol

(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol (PubChem CID 129142659) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol
PubChem CID129142659
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol
SMILESCC(C)C(O)/C=C/CN1CCCC1
InChIInChI=1S/C11H21NO/c1-10(2)11(13)6-5-9-12-7-3-4-8-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3/b6-5+
InChIKeyXWNUGZZGTUAQBG-AATRIKPKSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
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 (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol?
The IUPAC name of (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol (CID 129142659) is (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol.
What is the SMILES notation for (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol?
The canonical SMILES for (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol is CC(C)C(O)/C=C/CN1CCCC1.
What is the InChIKey of (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol?
The InChIKey is XWNUGZZGTUAQBG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)11(13)6-5-9-12-7-3-4-8-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3/b6-5+.
What are the key properties of (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol?
(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol is sourced from PubChem (CID 129142659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).