ethane;1-pyrrolidin-2-ylpropan-2-ol

C9H21NO — CID 145416338

IUPACethane;1-pyrrolidin-2-ylpropan-2-ol
SMILESCC.CC(O)CC1CCCN1
InChIInChI=1S/C7H15NO.C2H6/c1-6(9)5-7-3-2-4-8-7;1-2/h6-9H,2-5H2,1H3;1-2H3
InChIKeyZGWJWZGYNLSDLN-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds2

About ethane;1-pyrrolidin-2-ylpropan-2-ol

ethane;1-pyrrolidin-2-ylpropan-2-ol (PubChem CID 145416338) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;1-pyrrolidin-2-ylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-pyrrolidin-2-ylpropan-2-ol
PubChem CID145416338
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;1-pyrrolidin-2-ylpropan-2-ol
SMILESCC.CC(O)CC1CCCN1
InChIInChI=1S/C7H15NO.C2H6/c1-6(9)5-7-3-2-4-8-7;1-2/h6-9H,2-5H2,1H3;1-2H3
InChIKeyZGWJWZGYNLSDLN-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105430823
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
CID 79540718
(2S)-1-piperazin-2-ylpropan-2-ol
CID 69210307
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590

Frequently Asked Questions

What is the IUPAC name of ethane;1-pyrrolidin-2-ylpropan-2-ol?
The IUPAC name of ethane;1-pyrrolidin-2-ylpropan-2-ol (CID 145416338) is ethane;1-pyrrolidin-2-ylpropan-2-ol.
What is the SMILES notation for ethane;1-pyrrolidin-2-ylpropan-2-ol?
The canonical SMILES for ethane;1-pyrrolidin-2-ylpropan-2-ol is CC.CC(O)CC1CCCN1.
What is the InChIKey of ethane;1-pyrrolidin-2-ylpropan-2-ol?
The InChIKey is ZGWJWZGYNLSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-6(9)5-7-3-2-4-8-7;1-2/h6-9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-pyrrolidin-2-ylpropan-2-ol?
ethane;1-pyrrolidin-2-ylpropan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-pyrrolidin-2-ylpropan-2-ol is sourced from PubChem (CID 145416338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).