4-(3-methoxypyrrolidin-1-yl)pentan-2-ol

C10H21NO2 — CID 103537676

IUPAC4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
SMILESCOC1CCN(C(C)CC(C)O)C1
InChIInChI=1S/C10H21NO2/c1-8(6-9(2)12)11-5-4-10(7-11)13-3/h8-10,12H,4-7H2,1-3H3
InChIKeyOJBCLAIINISCGU-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds4

About 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol

4-(3-methoxypyrrolidin-1-yl)pentan-2-ol (PubChem CID 103537676) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
PubChem CID103537676
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
SMILESCOC1CCN(C(C)CC(C)O)C1
InChIInChI=1S/C10H21NO2/c1-8(6-9(2)12)11-5-4-10(7-11)13-3/h8-10,12H,4-7H2,1-3H3
InChIKeyOJBCLAIINISCGU-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
3-(3-methoxypyrrolidin-1-yl)-N-methylbutan-1-amine
CID 103539768
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
CID 64721493
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
(3S)-1-(1,3-dichloropropan-2-yl)-3-methoxypyrrolidine
CID 162371914
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
16-hydroxy-16-[(3S)-3-methoxypyrrolidin-1-yl]hexadecanoic acid
CID 166729268
2-(3-methoxyazetidin-1-yl)propan-1-ol
CID 130548060
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
2-(3-methoxypyrrolidin-1-yl)butanethioamide
CID 103533726

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol (CID 103537676) is 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol is COC1CCN(C(C)CC(C)O)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol?
The InChIKey is OJBCLAIINISCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(6-9(2)12)11-5-4-10(7-11)13-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol?
4-(3-methoxypyrrolidin-1-yl)pentan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)pentan-2-ol is sourced from PubChem (CID 103537676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).