1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol

C12H27NO — CID 142267909

IUPAC1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
SMILESCC.CC1(C)CC1.OC[C@@H]1CCCN1
InChIInChI=1S/C5H11NO.C5H10.C2H6/c7-4-5-2-1-3-6-5;1-5(2)3-4-5;1-2/h5-7H,1-4H2;3-4H2,1-2H3;1-2H3/t5-;;/m0../s1
InChIKeyCZNNLSPPTKNELY-XRIGFGBMSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds1

About 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol

1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 142267909) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID142267909
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
SMILESCC.CC1(C)CC1.OC[C@@H]1CCCN1
InChIInChI=1S/C5H11NO.C5H10.C2H6/c7-4-5-2-1-3-6-5;1-5(2)3-4-5;1-2/h5-7H,1-4H2;3-4H2,1-2H3;1-2H3/t5-;;/m0../s1
InChIKeyCZNNLSPPTKNELY-XRIGFGBMSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
ethane;ethene;piperidin-2-ylmethanol
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CID 870731
hydron;[(2R)-piperidin-2-yl]methanol;chloride
CID 67247102
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961
cumene;pyrrolidin-2-ylmethanol
CID 142237933
2-methylprop-2-enoic acid;piperidin-2-ylmethanol
CID 70536711
ethane;2-piperidin-2-ylethanol
CID 91203064
CID 18724132
CID 18724132
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol (CID 142267909) is 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol is CC.CC1(C)CC1.OC[C@@H]1CCCN1.
What is the InChIKey of 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is CZNNLSPPTKNELY-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H11NO.C5H10.C2H6/c7-4-5-2-1-3-6-5;1-5(2)3-4-5;1-2/h5-7H,1-4H2;3-4H2,1-2H3;1-2H3/t5-;;/m0../s1.
What are the key properties of 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol?
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).