4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride

C10H18ClNO — CID 139026275

IUPAC4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H17NO.ClH/c12-10-5-3-9(4-6-10)11-7-1-2-8-11;/h9H,1-8H2;1H
InChIKeyZAAUPXPDWWAAMG-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.02
Rot. Bonds1

About 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride

4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride (PubChem CID 139026275) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride
PubChem CID139026275
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H17NO.ClH/c12-10-5-3-9(4-6-10)11-7-1-2-8-11;/h9H,1-8H2;1H
InChIKeyZAAUPXPDWWAAMG-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride?
The IUPAC name of 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride (CID 139026275) is 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride?
The canonical SMILES for 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride is Cl.O=C1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride?
The InChIKey is ZAAUPXPDWWAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c12-10-5-3-9(4-6-10)11-7-1-2-8-11;/h9H,1-8H2;1H.
What are the key properties of 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride?
4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylcyclohexan-1-one;hydrochloride is sourced from PubChem (CID 139026275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).