ethane;pyrrolidin-3-ylmethanol

C7H17NO — CID 90927139

IUPACethane;pyrrolidin-3-ylmethanol
SMILESCC.OCC1CCNC1
InChIInChI=1S/C5H11NO.C2H6/c7-4-5-1-2-6-3-5;1-2/h5-7H,1-4H2;1-2H3
InChIKeyHUSWXHSUUCSAHR-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds1

About ethane;pyrrolidin-3-ylmethanol

ethane;pyrrolidin-3-ylmethanol (PubChem CID 90927139) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is ethane;pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Nameethane;pyrrolidin-3-ylmethanol
PubChem CID90927139
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Nameethane;pyrrolidin-3-ylmethanol
SMILESCC.OCC1CCNC1
InChIInChI=1S/C5H11NO.C2H6/c7-4-5-1-2-6-3-5;1-2/h5-7H,1-4H2;1-2H3
InChIKeyHUSWXHSUUCSAHR-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrrolidin-3-ylmethanol?
The IUPAC name of ethane;pyrrolidin-3-ylmethanol (CID 90927139) is ethane;pyrrolidin-3-ylmethanol.
What is the SMILES notation for ethane;pyrrolidin-3-ylmethanol?
The canonical SMILES for ethane;pyrrolidin-3-ylmethanol is CC.OCC1CCNC1.
What is the InChIKey of ethane;pyrrolidin-3-ylmethanol?
The InChIKey is HUSWXHSUUCSAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c7-4-5-1-2-6-3-5;1-2/h5-7H,1-4H2;1-2H3.
What are the key properties of ethane;pyrrolidin-3-ylmethanol?
ethane;pyrrolidin-3-ylmethanol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrrolidin-3-ylmethanol is sourced from PubChem (CID 90927139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).