(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol

C9H17NO — CID 78963340

IUPAC(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
SMILESCC(C)=CCN1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO/c1-8(2)3-5-10-6-4-9(11)7-10/h3,9,11H,4-7H2,1-2H3/t9-/m1/s1
InChIKeyCWYJMZHRNNFYPD-SECBINFHSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol

(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol (PubChem CID 78963340) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
PubChem CID78963340
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
SMILESCC(C)=CCN1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO/c1-8(2)3-5-10-6-4-9(11)7-10/h3,9,11H,4-7H2,1-2H3/t9-/m1/s1
InChIKeyCWYJMZHRNNFYPD-SECBINFHSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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 (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol (CID 78963340) is (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol is CC(C)=CCN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
The InChIKey is CWYJMZHRNNFYPD-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)3-5-10-6-4-9(11)7-10/h3,9,11H,4-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
(3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylbut-2-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 78963340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).