2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol

C13H25NO — CID 79178906

IUPAC2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(C)(CC)N1CCCC1
InChIInChI=1S/C13H25NO/c1-5-13(4,12(15)10-11(2)3)14-8-6-7-9-14/h12,15H,2,5-10H2,1,3-4H3
InChIKeyUBCMIVHKGPVULO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol

2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol (PubChem CID 79178906) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol.

Molecular Properties

Compound Name2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
PubChem CID79178906
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(C)(CC)N1CCCC1
InChIInChI=1S/C13H25NO/c1-5-13(4,12(15)10-11(2)3)14-8-6-7-9-14/h12,15H,2,5-10H2,1,3-4H3
InChIKeyUBCMIVHKGPVULO-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The IUPAC name of 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol (CID 79178906) is 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol.
What is the SMILES notation for 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The canonical SMILES for 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol is C=C(C)CC(O)C(C)(CC)N1CCCC1.
What is the InChIKey of 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The InChIKey is UBCMIVHKGPVULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-13(4,12(15)10-11(2)3)14-8-6-7-9-14/h12,15H,2,5-10H2,1,3-4H3.
What are the key properties of 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol is sourced from PubChem (CID 79178906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).