(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol

C11H19NO — CID 22624487

IUPAC(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
SMILESC=CCN1CC(CO)C(C2CC2)C1
InChIInChI=1S/C11H19NO/c1-2-5-12-6-10(8-13)11(7-12)9-3-4-9/h2,9-11,13H,1,3-8H2
InChIKeyBPVDUOSJOGSXMA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.12
Rot. Bonds4

About (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol

(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol (PubChem CID 22624487) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
PubChem CID22624487
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
SMILESC=CCN1CC(CO)C(C2CC2)C1
InChIInChI=1S/C11H19NO/c1-2-5-12-6-10(8-13)11(7-12)9-3-4-9/h2,9-11,13H,1,3-8H2
InChIKeyBPVDUOSJOGSXMA-UHFFFAOYSA-N
XLogP1.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol?
The IUPAC name of (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol (CID 22624487) is (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol?
The canonical SMILES for (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol is C=CCN1CC(CO)C(C2CC2)C1.
What is the InChIKey of (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol?
The InChIKey is BPVDUOSJOGSXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-12-6-10(8-13)11(7-12)9-3-4-9/h2,9-11,13H,1,3-8H2.
What are the key properties of (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol?
(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 22624487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).