(1-but-3-en-2-ylpyrrolidin-2-yl)methanol

C9H17NO — CID 62383256

IUPAC(1-but-3-en-2-ylpyrrolidin-2-yl)methanol
SMILESC=CC(C)N1CCCC1CO
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-4-5-9(10)7-11/h3,8-9,11H,1,4-7H2,2H3
InChIKeyBTNRZWVVJGJPPR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About (1-but-3-en-2-ylpyrrolidin-2-yl)methanol

(1-but-3-en-2-ylpyrrolidin-2-yl)methanol (PubChem CID 62383256) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1-but-3-en-2-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-but-3-en-2-ylpyrrolidin-2-yl)methanol
PubChem CID62383256
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1-but-3-en-2-ylpyrrolidin-2-yl)methanol
SMILESC=CC(C)N1CCCC1CO
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-4-5-9(10)7-11/h3,8-9,11H,1,4-7H2,2H3
InChIKeyBTNRZWVVJGJPPR-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 (1-but-3-en-2-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-but-3-en-2-ylpyrrolidin-2-yl)methanol (CID 62383256) is (1-but-3-en-2-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-but-3-en-2-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-but-3-en-2-ylpyrrolidin-2-yl)methanol is C=CC(C)N1CCCC1CO.
What is the InChIKey of (1-but-3-en-2-ylpyrrolidin-2-yl)methanol?
The InChIKey is BTNRZWVVJGJPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)10-6-4-5-9(10)7-11/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of (1-but-3-en-2-ylpyrrolidin-2-yl)methanol?
(1-but-3-en-2-ylpyrrolidin-2-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-en-2-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 62383256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).