5-methylidene-3-pentan-3-ylpyrrolidin-2-ol

C10H19NO — CID 139456106

IUPAC5-methylidene-3-pentan-3-ylpyrrolidin-2-ol
SMILESC=C1CC(C(CC)CC)C(O)N1
InChIInChI=1S/C10H19NO/c1-4-8(5-2)9-6-7(3)11-10(9)12/h8-12H,3-6H2,1-2H3
InChIKeyPHUYWPKVJLTPNX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.86
Rot. Bonds3

About 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol

5-methylidene-3-pentan-3-ylpyrrolidin-2-ol (PubChem CID 139456106) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol.

Molecular Properties

Compound Name5-methylidene-3-pentan-3-ylpyrrolidin-2-ol
PubChem CID139456106
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-methylidene-3-pentan-3-ylpyrrolidin-2-ol
SMILESC=C1CC(C(CC)CC)C(O)N1
InChIInChI=1S/C10H19NO/c1-4-8(5-2)9-6-7(3)11-10(9)12/h8-12H,3-6H2,1-2H3
InChIKeyPHUYWPKVJLTPNX-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol?
The IUPAC name of 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol (CID 139456106) is 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol.
What is the SMILES notation for 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol?
The canonical SMILES for 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol is C=C1CC(C(CC)CC)C(O)N1.
What is the InChIKey of 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol?
The InChIKey is PHUYWPKVJLTPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(5-2)9-6-7(3)11-10(9)12/h8-12H,3-6H2,1-2H3.
What are the key properties of 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol?
5-methylidene-3-pentan-3-ylpyrrolidin-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-pentan-3-ylpyrrolidin-2-ol is sourced from PubChem (CID 139456106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).