(2S)-2-pyrrolidin-1-ylbutan-1-ol

C8H17NO — CID 107094489

IUPAC(2S)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCC[C@@H](CO)N1CCCC1
InChIInChI=1S/C8H17NO/c1-2-8(7-10)9-5-3-4-6-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyMPOXJNRKFHZSFT-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds3

About (2S)-2-pyrrolidin-1-ylbutan-1-ol

(2S)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 107094489) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID107094489
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCC[C@@H](CO)N1CCCC1
InChIInChI=1S/C8H17NO/c1-2-8(7-10)9-5-3-4-6-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyMPOXJNRKFHZSFT-QMMMGPOBSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of (2S)-2-pyrrolidin-1-ylbutan-1-ol (CID 107094489) is (2S)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for (2S)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for (2S)-2-pyrrolidin-1-ylbutan-1-ol is CC[C@@H](CO)N1CCCC1.
What is the InChIKey of (2S)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is MPOXJNRKFHZSFT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(7-10)9-5-3-4-6-9/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-pyrrolidin-1-ylbutan-1-ol?
(2S)-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 107094489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).