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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Related Compounds

2-Fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol
CID 91025545
[(4Z)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 178758820
(3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367474
(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367769
(3R,4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584520
1-Methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584526
(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol
CID 145041183
(2-Butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 164922029
[1-Methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
CID 164922682
methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
CID 170771620
(2-Ethyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 172354916
(1-Methyl-4-methylidene-2-propylpyrrolidin-2-yl)methanol
CID 172364840

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).