(2-prop-2-enylpyrrolidin-2-yl)methanol

C8H15NO — CID 78069313

IUPAC(2-prop-2-enylpyrrolidin-2-yl)methanol
SMILESC=CCC1(CO)CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(7-10)5-3-6-9-8/h2,9-10H,1,3-7H2
InChIKeyIHWSOURPNZFVCE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About (2-prop-2-enylpyrrolidin-2-yl)methanol

(2-prop-2-enylpyrrolidin-2-yl)methanol (PubChem CID 78069313) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2-prop-2-enylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-prop-2-enylpyrrolidin-2-yl)methanol
PubChem CID78069313
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2-prop-2-enylpyrrolidin-2-yl)methanol
SMILESC=CCC1(CO)CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(7-10)5-3-6-9-8/h2,9-10H,1,3-7H2
InChIKeyIHWSOURPNZFVCE-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-prop-2-enylpyrrolidin-2-yl)methanol?
The IUPAC name of (2-prop-2-enylpyrrolidin-2-yl)methanol (CID 78069313) is (2-prop-2-enylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (2-prop-2-enylpyrrolidin-2-yl)methanol?
The canonical SMILES for (2-prop-2-enylpyrrolidin-2-yl)methanol is C=CCC1(CO)CCCN1.
What is the InChIKey of (2-prop-2-enylpyrrolidin-2-yl)methanol?
The InChIKey is IHWSOURPNZFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(7-10)5-3-6-9-8/h2,9-10H,1,3-7H2.
What are the key properties of (2-prop-2-enylpyrrolidin-2-yl)methanol?
(2-prop-2-enylpyrrolidin-2-yl)methanol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 78069313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).