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

C19H29ClN2O2 — CID 15945647

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride
SMILESCC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCCC1.Cl.O
InChIInChI=1S/C19H26N2O.ClH.H2O/c1-13(21-10-2-3-11-21)19(22)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18;;/h12-13H,2-11H2,1H3,(H,20,22);1H;1H2
InChIKeyJWQMDAFABVDVRW-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.68
Rot. Bonds3

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride (PubChem CID 15945647) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride
PubChem CID15945647
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride
SMILESCC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCCC1.Cl.O
InChIInChI=1S/C19H26N2O.ClH.H2O/c1-13(21-10-2-3-11-21)19(22)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18;;/h12-13H,2-11H2,1H3,(H,20,22);1H;1H2
InChIKeyJWQMDAFABVDVRW-UHFFFAOYSA-N
XLogP2.68
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.68
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-ylpropanamide;hydrate;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride (CID 15945647) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride is CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCCC1.Cl.O.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride?
The InChIKey is JWQMDAFABVDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH.H2O/c1-13(21-10-2-3-11-21)19(22)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18;;/h12-13H,2-11H2,1H3,(H,20,22);1H;1H2.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide;hydrate;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.68, 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-ylpropanamide;hydrate;hydrochloride is sourced from PubChem (CID 15945647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).