(1-propan-2-ylpyrrolidin-3-yl)methanol

C8H17NO — CID 16641305

IUPAC(1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CCC(CO)C1
InChIInChI=1S/C8H17NO/c1-7(2)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAAHDGWGNYJVYMG-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds2

About (1-propan-2-ylpyrrolidin-3-yl)methanol

(1-propan-2-ylpyrrolidin-3-yl)methanol (PubChem CID 16641305) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1-propan-2-ylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylpyrrolidin-3-yl)methanol
PubChem CID16641305
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CCC(CO)C1
InChIInChI=1S/C8H17NO/c1-7(2)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAAHDGWGNYJVYMG-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol
CID 123606610
[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 64867752
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 105400777
[1-(1-sulfanylethyl)piperidin-4-yl]methanol
CID 138616110
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-propan-2-ylpyrrolidin-3-yl)methanol (CID 16641305) is (1-propan-2-ylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-propan-2-ylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-propan-2-ylpyrrolidin-3-yl)methanol is CC(C)N1CCC(CO)C1.
What is the InChIKey of (1-propan-2-ylpyrrolidin-3-yl)methanol?
The InChIKey is AAHDGWGNYJVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrrolidin-3-yl)methanol?
(1-propan-2-ylpyrrolidin-3-yl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 16641305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).