potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate

C8H14KNO — CID 164878670

IUPACpotassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate
SMILES[K+].[O-]CC1(CN2CCC2)CC1
InChIInChI=1S/C8H14NO.K/c10-7-8(2-3-8)6-9-4-1-5-9;/h1-7H2;/q-1;+1
InChIKeyRHGKDVWMCOGYJJ-UHFFFAOYSA-N
MW179.30 g/mol
LogP-3.16
Rot. Bonds3

About potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate

potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate (PubChem CID 164878670) has the molecular formula C8H14KNO and a molecular weight of 179.30 g/mol. Its IUPAC name is potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate.

Molecular Properties

Compound Namepotassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate
PubChem CID164878670
Molecular FormulaC8H14KNO
Molecular Weight179.30 g/mol
Exact Mass179.07
IUPAC Namepotassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate
SMILES[K+].[O-]CC1(CN2CCC2)CC1
InChIInChI=1S/C8H14NO.K/c10-7-8(2-3-8)6-9-4-1-5-9;/h1-7H2;/q-1;+1
InChIKeyRHGKDVWMCOGYJJ-UHFFFAOYSA-N
XLogP-3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 5-3.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Azetidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 166533231
(1-(Azetidin-1-ylmethyl)cyclopropyl)methanol
CID 129049503
1-[[1-(Methoxymethyl)cyclopropyl]methyl]azetidine
CID 147865054
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 164878995
3-Ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 169228979
Potassium 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 170583620
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3,3-dimethylazetidine
CID 172348552
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]azetidine
CID 172348842
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 172350316
[1-(Azetidin-1-ylmethyl)cyclopropyl]methyl hypoiodite
CID 177000527
3-(5-Azaspiro[2.3]hexan-5-yl)propan-1-ol
CID 104549003
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-3,3-dimethylazetidine
CID 172348553

Frequently Asked Questions

What is the IUPAC name of potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate?
The IUPAC name of potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate (CID 164878670) is potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate.
What is the SMILES notation for potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate?
The canonical SMILES for potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate is [K+].[O-]CC1(CN2CCC2)CC1.
What is the InChIKey of potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate?
The InChIKey is RHGKDVWMCOGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO.K/c10-7-8(2-3-8)6-9-4-1-5-9;/h1-7H2;/q-1;+1.
What are the key properties of potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate?
potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate has a molecular weight of 179.30 g/mol, XLogP of -3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [1-(azetidin-1-ylmethyl)cyclopropyl]methanolate is sourced from PubChem (CID 164878670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).