N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C18H25ClN2O — CID 3069950

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C18H24N2O.ClH/c21-17(12-20-9-1-2-10-20)19-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;/h11H,1-10,12H2,(H,19,21);1H
InChIKeyOVBSWRPYDTUPQM-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.12
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 3069950) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID3069950
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCC1)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C18H24N2O.ClH/c21-17(12-20-9-1-2-10-20)19-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;/h11H,1-10,12H2,(H,19,21);1H
InChIKeyOVBSWRPYDTUPQM-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 3069950) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCC1)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is OVBSWRPYDTUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.ClH/c21-17(12-20-9-1-2-10-20)19-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;/h11H,1-10,12H2,(H,19,21);1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 3069950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).