1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol

C9H17NO2 — CID 166894534

IUPAC1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol
SMILESC=C(CCOC)N1CCC(O)C1
InChIInChI=1S/C9H17NO2/c1-8(4-6-12-2)10-5-3-9(11)7-10/h9,11H,1,3-7H2,2H3
InChIKeySZVMFVLSKBOADH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.60
Rot. Bonds4

About 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol

1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol (PubChem CID 166894534) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol
PubChem CID166894534
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol
SMILESC=C(CCOC)N1CCC(O)C1
InChIInChI=1S/C9H17NO2/c1-8(4-6-12-2)10-5-3-9(11)7-10/h9,11H,1,3-7H2,2H3
InChIKeySZVMFVLSKBOADH-UHFFFAOYSA-N
XLogP0.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol (CID 166894534) is 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol is C=C(CCOC)N1CCC(O)C1.
What is the InChIKey of 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol?
The InChIKey is SZVMFVLSKBOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(4-6-12-2)10-5-3-9(11)7-10/h9,11H,1,3-7H2,2H3.
What are the key properties of 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol?
1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybut-1-en-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 166894534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).