3-(2-methylpropyl)pyrrolidin-3-ol

C8H17NO — CID 63586791

IUPAC3-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CC1(O)CCNC1
InChIInChI=1S/C8H17NO/c1-7(2)5-8(10)3-4-9-6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyJHPPDMQNPKVLBD-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About 3-(2-methylpropyl)pyrrolidin-3-ol

3-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 63586791) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID63586791
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CC1(O)CCNC1
InChIInChI=1S/C8H17NO/c1-7(2)5-8(10)3-4-9-6-8/h7,9-10H,3-6H2,1-2H3
InChIKeyJHPPDMQNPKVLBD-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-methylpropyl)pyrrolidin-3-ol (CID 63586791) is 3-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CC1(O)CCNC1.
What is the InChIKey of 3-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is JHPPDMQNPKVLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)5-8(10)3-4-9-6-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)pyrrolidin-3-ol?
3-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 63586791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).