3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol

C14H25NO — CID 104804000

IUPAC3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol
SMILESCC#CCCC(O)C(C)(CC)N1CCCC1
InChIInChI=1S/C14H25NO/c1-4-6-7-10-13(16)14(3,5-2)15-11-8-9-12-15/h13,16H,5,7-12H2,1-3H3
InChIKeyMRMQWQJHYOUULT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.42
Rot. Bonds5

About 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol

3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol (PubChem CID 104804000) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol.

Molecular Properties

Compound Name3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol
PubChem CID104804000
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol
SMILESCC#CCCC(O)C(C)(CC)N1CCCC1
InChIInChI=1S/C14H25NO/c1-4-6-7-10-13(16)14(3,5-2)15-11-8-9-12-15/h13,16H,5,7-12H2,1-3H3
InChIKeyMRMQWQJHYOUULT-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol?
The IUPAC name of 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol (CID 104804000) is 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol.
What is the SMILES notation for 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol?
The canonical SMILES for 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol is CC#CCCC(O)C(C)(CC)N1CCCC1.
What is the InChIKey of 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol?
The InChIKey is MRMQWQJHYOUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-7-10-13(16)14(3,5-2)15-11-8-9-12-15/h13,16H,5,7-12H2,1-3H3.
What are the key properties of 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol?
3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol has a molecular weight of 223.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrrolidin-1-ylnon-7-yn-4-ol is sourced from PubChem (CID 104804000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).