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

C9H15NO — CID 167494911

IUPAC(3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol
SMILESC=CCC1(CO)NCCC1=C
InChIInChI=1S/C9H15NO/c1-3-5-9(7-11)8(2)4-6-10-9/h3,10-11H,1-2,4-7H2
InChIKeyHSKWROJUZMNTMD-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds3

About (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol

(3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol (PubChem CID 167494911) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol
PubChem CID167494911
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol
SMILESC=CCC1(CO)NCCC1=C
InChIInChI=1S/C9H15NO/c1-3-5-9(7-11)8(2)4-6-10-9/h3,10-11H,1-2,4-7H2
InChIKeyHSKWROJUZMNTMD-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
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 (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol?
The IUPAC name of (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol (CID 167494911) is (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol is C=CCC1(CO)NCCC1=C.
What is the InChIKey of (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol?
The InChIKey is HSKWROJUZMNTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-9(7-11)8(2)4-6-10-9/h3,10-11H,1-2,4-7H2.
What are the key properties of (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol?
(3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-2-prop-2-enylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 167494911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).