5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol

C12H23NO — CID 79068704

IUPAC5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=CCC(O)C(C)(CC)N1CCCC1
InChIInChI=1S/C12H23NO/c1-4-8-11(14)12(3,5-2)13-9-6-7-10-13/h4,11,14H,1,5-10H2,2-3H3
InChIKeyIUAWSTKLJHVBOH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol

5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol (PubChem CID 79068704) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol.

Molecular Properties

Compound Name5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
PubChem CID79068704
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=CCC(O)C(C)(CC)N1CCCC1
InChIInChI=1S/C12H23NO/c1-4-8-11(14)12(3,5-2)13-9-6-7-10-13/h4,11,14H,1,5-10H2,2-3H3
InChIKeyIUAWSTKLJHVBOH-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The IUPAC name of 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol (CID 79068704) is 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol.
What is the SMILES notation for 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The canonical SMILES for 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol is C=CCC(O)C(C)(CC)N1CCCC1.
What is the InChIKey of 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The InChIKey is IUAWSTKLJHVBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-8-11(14)12(3,5-2)13-9-6-7-10-13/h4,11,14H,1,5-10H2,2-3H3.
What are the key properties of 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol is sourced from PubChem (CID 79068704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).