(3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol

C11H21NO — CID 102788434

IUPAC(3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol
SMILESC=CCCCN1CCC(C)C1CO
InChIInChI=1S/C11H21NO/c1-3-4-5-7-12-8-6-10(2)11(12)9-13/h3,10-11,13H,1,4-9H2,2H3
InChIKeyROMCTUVGFSOXHN-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds5

About (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol

(3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol (PubChem CID 102788434) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol
PubChem CID102788434
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol
SMILESC=CCCCN1CCC(C)C1CO
InChIInChI=1S/C11H21NO/c1-3-4-5-7-12-8-6-10(2)11(12)9-13/h3,10-11,13H,1,4-9H2,2H3
InChIKeyROMCTUVGFSOXHN-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol?
The IUPAC name of (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol (CID 102788434) is (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol is C=CCCCN1CCC(C)C1CO.
What is the InChIKey of (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol?
The InChIKey is ROMCTUVGFSOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-7-12-8-6-10(2)11(12)9-13/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol?
(3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-pent-4-enylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 102788434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).