[2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol

C11H21NO — CID 174321344

IUPAC[2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol
SMILESC=C1CNC(CO)(CCC(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(2)4-5-11(8-13)6-10(3)7-12-11/h9,12-13H,3-8H2,1-2H3
InChIKeySVUNPNNVCAKSQN-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds4

About [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol

[2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol (PubChem CID 174321344) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol
PubChem CID174321344
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol
SMILESC=C1CNC(CO)(CCC(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(2)4-5-11(8-13)6-10(3)7-12-11/h9,12-13H,3-8H2,1-2H3
InChIKeySVUNPNNVCAKSQN-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol 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 [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol?
The IUPAC name of [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol (CID 174321344) is [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol?
The canonical SMILES for [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol is C=C1CNC(CO)(CCC(C)C)C1.
What is the InChIKey of [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol?
The InChIKey is SVUNPNNVCAKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)4-5-11(8-13)6-10(3)7-12-11/h9,12-13H,3-8H2,1-2H3.
What are the key properties of [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol?
[2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutyl)-4-methylidenepyrrolidin-2-yl]methanol is sourced from PubChem (CID 174321344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).