1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 86692792

IUPAC1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(N2CCCC2)CC1
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)8(3-4-8)9-5-1-2-6-9;/h1-6H2,(H,10,11);1H
InChIKeyFSKGLNXDWJMTHD-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.12
Rot. Bonds2

About 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride

1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 86692792) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID86692792
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(N2CCCC2)CC1
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)8(3-4-8)9-5-1-2-6-9;/h1-6H2,(H,10,11);1H
InChIKeyFSKGLNXDWJMTHD-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride (CID 86692792) is 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(N2CCCC2)CC1.
What is the InChIKey of 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is FSKGLNXDWJMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-7(11)8(3-4-8)9-5-1-2-6-9;/h1-6H2,(H,10,11);1H.
What are the key properties of 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride?
1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 86692792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).