1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol

C10H17NO — CID 79734093

IUPAC1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C10H17NO/c1-2-5-10(12)6-7-11(8-10)9-3-4-9/h2,9,12H,1,3-8H2
InChIKeyFRAAKEFXJPTNCS-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds3

About 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol

1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol (PubChem CID 79734093) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol
PubChem CID79734093
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C10H17NO/c1-2-5-10(12)6-7-11(8-10)9-3-4-9/h2,9,12H,1,3-8H2
InChIKeyFRAAKEFXJPTNCS-UHFFFAOYSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.16
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 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol (CID 79734093) is 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol is C=CCC1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol?
The InChIKey is FRAAKEFXJPTNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-10(12)6-7-11(8-10)9-3-4-9/h2,9,12H,1,3-8H2.
What are the key properties of 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol?
1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 79734093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).